ACDB Search

Compound Summary

cantharidin

Compound Information

cantharidin

Compound Name:	cantharidin
Compound CID:	5944
Synonyms:	cantharidin 56-25-7 Cantharone CANTHARIDINE Kantaridin More...
Iupac Name:	(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
InChI:	InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
InChIKey:	DHZBEENLJMYSHQ-XCVPVQRUSA-N
Canonical Smiles:	CC12C3CCC(C1(C(=O)OC2=O)C)O3
Isomeric Smiles:	C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3
Molecular Weight:	196.2
Molecular Formula:	C10H12O4

Compound Structure

2D Structure:

3D Structure:

Computed Properties

cantharidin

Molecular Weight:	196.2
Molecular Formula:	C10H12O4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Heavy Atom Count:	14
Complexity:	318

Synonyms

cantharidin

cantharidin	cantharidin
cantharidin	56-25-7
Cantharone	CANTHARIDINE
Kantaridin	Kantharidin
Cantharides camphor	1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride
UNII-IGL471WQ8P	NSC61805
exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride	BRN 0085302
AI3-04021	(3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
IGL471WQ8P	CHEMBL48449
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-	CHEBI:64213
7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran	CAN Alkaloid
Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione	MFCD00134968
NSC-61805	Cantharidin (USAN)
Cantharidin USAN	3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione
NSC 61805	Kantharidin German
Caswell No. 157	(3a?,4?,7?,7a?)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel-	CCRIS 635
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-	2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-	HSDB 2181
EINECS 200-263-3	EPA Pesticide Chemical Code 013101
CAS-56-25-7	NCGC00016247-01
Prestwick3_000885	(1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride
2,3-dicarboxylic anhydride	Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione
NCIMech_000301	BSPBio_000670
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)	5-19-05-00051 (Beilstein Handbook Reference)
SCHEMBL152262	BPBio1_000738
Cantharides camphor, Cantharone	cid_6708701
HMS2097B12	HMS3412J13
HMS3676J13	1,6-epoxyperhydrophthalic anhydride
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-	ACT03236
AMY33451	BCP09819
HY-N0209	BDBM50090505
CCG-35382	CCG-36082
WHO 11470	ZINC17611186
AKOS015895930	AC-7967
CS-4979	DB12328
4,3-dione, hexahydro-3a,7a-dimethyl-	exo-1,6-epoxyhexahydrophthalic anhydride
NCGC00025212-02	NCGC00025212-03
NCGC00025212-04	NCGC00025212-05
NCGC00025212-31	AS-18735
NCI60_005413	WLN: T C555 A AO DVOVTJ C1 G1
AB00513946	Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione
X1105	D11745
7-Oxabicyclo2.2.1heptane-2, 2,3-dimethyl-	134C968
Q410884	SR-01000597585
SR-01000597585-1	BRD-K80684056-001-01-0
(3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione	(1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione
(1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione	(1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione
(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo5.2.1.02,6decane-3,5-dione	(1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo5.2.1.0-2,6decane-3,5-dione
4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-	Cantharidin:4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a- dimethyl-, (3a,4,7,7a)-,

Experimental Data

cantharidin

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Significant	Strain	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	50.000000000000000	umol/L			-10.610000000000000	NS	N2	30970250	Inactive
Spodoptera litura	0.002000000000000	mg/g	36.640000000000000	29.750000000000000	-0.190000000000000	NS		30169799	Inactive
Caenorhabditis elegans	33.000000000000000	umol/L			-40.000000000000000	NS	N2	24134630	Inactive

Experimental Data Visualization

cantharidin

Statistics Data

cantharidin

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-10.610000000000000		2	2
Spodoptera litura	-0.190000000000000		1	1

Statistics Data Visualization

cantharidin

Compound Name:

cantharidin

Compound CID:

5944

Synonyms:

cantharidin 56-25-7 Cantharone CANTHARIDINE Kantaridin More...

Iupac Name:

(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

InChI:

InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

InChIKey:

DHZBEENLJMYSHQ-XCVPVQRUSA-N

Canonical Smiles:

CC12C3CCC(C1(C(=O)OC2=O)C)O3

Isomeric Smiles:

C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3

Molecular Weight:

196.2

Molecular Formula:

C10H12O4

Molecular Weight:

196.2

Molecular Formula:

C10H12O4

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

4

Rotatable Bond Count:

0

Heavy Atom Count:

14

Complexity:

318

cantharidin

56-25-7

Cantharone

CANTHARIDINE

Kantaridin

Kantharidin

Cantharides camphor

1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride

UNII-IGL471WQ8P

NSC61805

exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride

BRN 0085302

AI3-04021

(3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione

IGL471WQ8P

CHEMBL48449

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-

CHEBI:64213

7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran

CAN Alkaloid

Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione

MFCD00134968

NSC-61805

Cantharidin (USAN)

Cantharidin USAN

3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione

NSC 61805

Kantharidin German

Caswell No. 157

(3a?,4?,7?,7a?)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel-

CCRIS 635

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-

2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride

7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-

HSDB 2181

EINECS 200-263-3

EPA Pesticide Chemical Code 013101

CAS-56-25-7

NCGC00016247-01

Prestwick3_000885

(1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride

2,3-dicarboxylic anhydride

Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione

NCIMech_000301

BSPBio_000670

cantharidin

56-25-7

Cantharone

CANTHARIDINE

Kantaridin

More...

(1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione

(1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione

(1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.02,6decane-3,5-dione