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Compound Summary

Plumbagin

Compound Information

Plumbagin

Compound Name:	Plumbagin
Compound CID:	10205
Synonyms:	Plumbagin 481-42-5 Plumbagine 5-Hydroxy-2-methyl-1,4-naphthoquinone Plumbaein More...
Iupac Name:	5-hydroxy-2-methylnaphthalene-1,4-dione
InChI:	InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChIKey:	VCMMXZQDRFWYSE-UHFFFAOYSA-N
Canonical Smiles:	CC1=CC(=O)C2=C(C1=O)C=CC=C2O
Isomeric Smiles:	CC1=CC(=O)C2=C(C1=O)C=CC=C2O
Molecular Weight:	188.18
Molecular Formula:	C11H8O3

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Plumbagin

Molecular Weight:	188.18
Molecular Formula:	C11H8O3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Heavy Atom Count:	14
Complexity:	317

Synonyms

Plumbagin

Plumbagin	Plumbagin
Plumbagin	481-42-5
Plumbagine	5-Hydroxy-2-methyl-1,4-naphthoquinone
Plumbaein	2-Methyljuglone
5-hydroxy-2-methylnaphthalene-1,4-dione	Plumbagone
1,4-Naphthalenedione, 5-hydroxy-2-methyl-	5-Hydroxy-2-methyl-1,4naphthoquinone
5-Hydroxy-2-methyl-1,4-naphthalenedione	2-Methyl-5-hydroxy-1,4-naphthoquinone
UNII-YAS4TBQ4OQ	NSC 236613
NSC 688284	YAS4TBQ4OQ
5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione	CHEBI:8273
CHEMBL295316	1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-
MFCD00001682	NSC236613
NSC688284	NSC-236613
NSC-688284	ST069355
5-Hydroxy-2-methyl-naphthalene-1,4-dione	plumbapin
CCRIS 6671	SR-05000002263
EINECS 207-569-6	BRN 1870475
Ophioxylin	Pumbagin
AI3-38055	RTK1
1, 5-hydroxy-2-methyl-	SCHEMBL34186
BSPBio_002546	4-08-00-02376 (Beilstein Handbook Reference)
Plumbagin from Plumbago indica	SPECTRUM1505129
GTPL7003	PCUR-101
DTXSID8075413	ACon1_001611
ZINC58187	HMS3870L13
WLN: L66 BV EVJ C1 GQ	HY-N1497
BDBM50012070	s4777
SBB012388	STL564479
AKOS015969699	CCG-208032
CCG-208410	MCULE-9327502882
NCGC00094567-01	NCGC00094567-02
NCGC00094567-03	NCGC00094567-04
NCGC00094567-05	NCGC00094567-06
BP-25404	NCI60_001904
PS-11338	R242
DB-051524	CS-0017042
FT-0602795	P1139
5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE	A827479
1,4-Naphthalenedione, 5-hydroxy-2-methyl- (9CI)	A1-00788
Q2550553	SR-05000002263-2
SR-05000002263-3	W-202844
BRD-K36137799-001-02-4	BRD-K36137799-001-03-2

Experimental Data

Plumbagin

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	200.000000000000000	umol/L	20.500000000000000	3.300000000000000	-0.840000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	1.000000000000000	umol/L	24.200000000000000	24.500000000000000	0.010000000000000	31.200000000000000	32.300000000000000	0.040000000000000	NS	N2	21765926	Inactive
Caenorhabditis elegans	250.000000000000000	umol/L	20.500000000000000	2.800000000000000	-0.860000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	100.000000000000000	umol/L	20.500000000000000	17.200000000000000	-0.160000000000000	28.000000000000000	23.900000000000000	-0.150000000000000	S	N2	21765926	Inactive
Caenorhabditis elegans	500.000000000000000	umol/L	21.500000000000000	3.900000000000000	-0.820000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	2.500000000000000	umol/L	24.200000000000000	24.800000000000000	0.020000000000000	31.200000000000000	32.800000000000000	0.050000000000000	NS	N2	21765926	Inactive
Caenorhabditis elegans	400.000000000000000	umol/L	20.500000000000000	2.000000000000000	-0.900000000000000				Unclear	N2	21765926	Inactive
Caenorhabditis elegans	7.500000000000000	umol/L	24.200000000000000	24.200000000000000	0.000000000000000	31.200000000000000	31.300000000000000	0.000000000000000	NS	N2	21765926	Inactive
Caenorhabditis elegans	25.000000000000000	umol/L	20.700000000000000	22.900000000000000	0.110000000000000	27.800000000000000	29.500000000000000	0.060000000000000	S	N2	21765926	Active
Caenorhabditis elegans	250.000000000000000	umol/L	23.200000000000000	2.100000000000000	-0.910000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	100.000000000000000	umol/L	22.300000000000000	19.900000000000000	-0.110000000000000	26.500000000000000	23.200000000000000	-0.120000000000000	S	N2	21765926	Inactive
Caenorhabditis elegans	300.000000000000000	umol/L	20.500000000000000	2.800000000000000	-0.860000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	50.000000000000000	umol/L	20.700000000000000	23.100000000000000	0.120000000000000	27.800000000000000	31.000000000000000	0.120000000000000	S	N2	21765926	Active
Caenorhabditis elegans	10.000000000000000	umol/L	20.700000000000000	22.000000000000000	0.060000000000000	27.800000000000000	28.600000000000000	0.030000000000000	S	N2	21765926	Active
Caenorhabditis elegans	50.000000000000000	umol/L	23.200000000000000	26.000000000000000	0.120000000000000	29.700000000000000	31.300000000000000	0.050000000000000	S	N2	21765926	Active
Caenorhabditis elegans	150.000000000000000	umol/L	20.500000000000000	15.800000000000000	-0.230000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	100.000000000000000	umol/L	20.700000000000000	20.800000000000000	0.000000000000000	27.800000000000000	28.400000000000000	0.020000000000000	NS	N2	21765926	Inactive
Caenorhabditis elegans	500.000000000000000	umol/L	23.200000000000000	2.000000000000000	-0.910000000000000				S	N2	21765926	Inactive
Caenorhabditis elegans	25.000000000000000	umol/L	24.200000000000000	26.900000000000000	0.110000000000000	31.200000000000000	35.300000000000000	0.130000000000000	S	N2	21765926	Active
Caenorhabditis elegans	25.000000000000000	umol/L	23.200000000000000	26.500000000000000	0.140000000000000	29.700000000000000	31.100000000000000	0.050000000000000	S	N2	21765926	Active
Caenorhabditis elegans	5.000000000000000	umol/L	24.200000000000000	24.800000000000000	0.020000000000000	31.200000000000000	32.100000000000000	0.030000000000000	NS	N2	21765926	Inactive
Caenorhabditis elegans	25.000000000000000	umol/L	20.500000000000000	22.500000000000000	0.100000000000000	28.000000000000000	28.600000000000000	0.020000000000000	S	N2	21765926	Active
Caenorhabditis elegans	50.000000000000000	umol/L	20.500000000000000	19.900000000000000	-0.030000000000000	28.000000000000000	26.400000000000000	-0.060000000000000	S	N2	21765926	Inactive
Caenorhabditis elegans	10.000000000000000	umol/L	20.500000000000000	22.300000000000000	0.090000000000000	28.000000000000000	28.600000000000000	0.020000000000000	NS	N2	21765926	Inactive

Experimental Data Visualization

Plumbagin

Statistics Data

Plumbagin

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	0.140000000000000	0.130000000000000	1	24

Statistics Data Visualization

Plumbagin

Compound Name:

Plumbagin

Compound CID:

10205

Synonyms:

Plumbagin 481-42-5 Plumbagine 5-Hydroxy-2-methyl-1,4-naphthoquinone Plumbaein More...

Iupac Name:

5-hydroxy-2-methylnaphthalene-1,4-dione

InChI:

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey:

VCMMXZQDRFWYSE-UHFFFAOYSA-N

Canonical Smiles:

CC1=CC(=O)C2=C(C1=O)C=CC=C2O

Isomeric Smiles:

CC1=CC(=O)C2=C(C1=O)C=CC=C2O

Molecular Weight:

188.18

Molecular Formula:

C11H8O3

Molecular Weight:

188.18

Molecular Formula:

C11H8O3

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

0

Heavy Atom Count:

14

Complexity:

317

Plumbagin

481-42-5

Plumbagine

5-Hydroxy-2-methyl-1,4-naphthoquinone

Plumbaein

2-Methyljuglone

5-hydroxy-2-methylnaphthalene-1,4-dione

Plumbagone

1,4-Naphthalenedione, 5-hydroxy-2-methyl-

5-Hydroxy-2-methyl-1,4naphthoquinone

5-Hydroxy-2-methyl-1,4-naphthalenedione

2-Methyl-5-hydroxy-1,4-naphthoquinone

UNII-YAS4TBQ4OQ

NSC 236613

NSC 688284

YAS4TBQ4OQ

5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione

CHEBI:8273

CHEMBL295316

1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-

MFCD00001682

NSC236613

NSC688284

NSC-236613

NSC-688284

ST069355

5-Hydroxy-2-methyl-naphthalene-1,4-dione

plumbapin

CCRIS 6671

SR-05000002263

EINECS 207-569-6

BRN 1870475

Ophioxylin

Pumbagin

AI3-38055

RTK1

1, 5-hydroxy-2-methyl-

SCHEMBL34186

BSPBio_002546

4-08-00-02376 (Beilstein Handbook Reference)

Plumbagin from Plumbago indica

SPECTRUM1505129

GTPL7003

PCUR-101

DTXSID8075413

ACon1_001611

Plumbagin

481-42-5

Plumbagine

5-Hydroxy-2-methyl-1,4-naphthoquinone

Plumbaein

More...