Compound Summary
emodin
Compound Information
emodin
Compound Name: | emodin |
Compound CID: | 3220 |
Synonyms: | emodin 518-82-1 Emodol Frangula emodin 1,3,8-trihydroxy-6-methylanthracene-9,10-dione More... |
Iupac Name: | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
InChI: | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
InChIKey: | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
Isomeric Smiles: | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
Molecular Weight: | 270.24 |
Molecular Formula: | C15H10O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
emodin
Molecular Weight: | 270.24 |
Molecular Formula: | C15H10O5 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 20 |
Complexity: | 434 |
Synonyms
emodin
| emodin | emodin |
|---|---|
emodin |
518-82-1 |
Emodol |
Frangula emodin |
1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
Schuttgelb |
Rheum emodin |
Archin |
Frangulic acid |
3-Methyl-1,6,8-trihydroxyanthraquinone |
Persian Berry Lake |
1,3,8-Trihydroxy-6-methylanthraquinone |
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- |
6-Methyl-1,3,8-trihydroxyanthraquinone |
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone |
C.I. Natural Yellow 14 |
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione |
Alatinone |
Rheum-emodin |
4,5,7-Trihydroxy-2-methylanthraquinone |
Frangulinic acid |
UNII-KA46RNI6HN |
C.I. 75440 |
NSC 408120 |
NSC 622947 |
Emodin-d4 |
Anthraquinone, 1,3,8-trihydroxy-6-methyl- |
NSC408120 |
KA46RNI6HN |
CHEMBL289277 |
Anthraquinone, 6-methyl-1,3,8-trihydroxy- |
CHEBI:42223 |
1,3,8-Trihydroxy-6-methylanthra-9,10-quinone |
MFCD00001207 |
NSC622947 |
1,3,8-tri-hydroxy-6-methyl-anthra-quinone |
DSSTox_CID_5231 |
DSSTox_RID_77709 |
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione |
DSSTox_GSID_25231 |
EMO |
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI) |
1,8-Trihydroxy-6-methylanthraquinone |
CAS-518-82-1 |
SMR000326798 |
CCRIS 3528 |
HSDB 7093 |
SR-01000075615 |
EINECS 208-258-8 |
BRN 1888141 |
Emdoin |
Frangula-emodin |
AI3-38286 |
3bqc |
Emodin,(S) |
Spectrum_001954 |
1f0q |
3ed0 |
SpecPlus_000332 |
Spectrum2_000895 |
Spectrum3_000742 |
Spectrum4_001757 |
Spectrum5_000614 |
Lopac-E-7881 |
Emodin, analytical standard |
NCIMech_000049 |
Lopac0_000552 |
BSPBio_002324 |
KBioGR_002234 |
KBioSS_002508 |
1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione |
MLS000563068 |
MLS001066370 |
MLS004257392 |
MLS006011712 |
DivK1c_006428 |
SCHEMBL177689 |
SPBio_000710 |
MEGxp0_000460 |
DTXSID5025231 |
ACon1_001939 |
BDBM11318 |
KBio1_001372 |
KBio2_002500 |
KBio2_005068 |
KBio2_007636 |
KBio3_001544 |
Emodin - CAS 518-82-1 |
HMS2230K22 |
HMS3261P05 |
HMS3373B16 |
HMS3655H22 |
1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione |
ACT03256 |
BCP18372 |
TNP00318 |
ZINC3824868 |
9, 1,3,8-trihydroxy-6-methyl- |
Tox21_202999 |
Tox21_303218 |
Tox21_500552 |
CCG-35263 |
CE0035 |
LMPK13040008 |
s2295 |
SBB066133 |
STL581876 |
3-Methyl-1,8-trihydroxyanthraquinone |
4,7-Trihydroxy-2-methylanthraquinone |
AKOS003348641 |
AC-1004 |
CS-1412 |
DB07715 |
KS-5189 |
LP00552 |
MCULE-1083063386 |
NSC-408120 |
NSC-622947 |
SDCCGSBI-0050535.P004 |
Anthraquinone,3,8-trihydroxy-6-methyl- |
SMP2_000211 |
NCGC00015420-01 |
NCGC00015420-02 |
NCGC00015420-03 |
NCGC00015420-04 |
NCGC00015420-05 |
NCGC00015420-06 |
NCGC00015420-07 |
NCGC00015420-08 |
NCGC00015420-09 |
NCGC00015420-22 |
NCGC00091540-01 |
NCGC00091540-02 |
NCGC00091540-03 |
NCGC00091540-04 |
NCGC00091540-05 |
NCGC00257090-01 |
NCGC00260544-01 |
NCGC00261237-01 |
1,3,8-Trihydroxy-6-methyl-anthraquinone |
HY-14393 |
M371 |
NCI60_003906 |
ST055355 |
AB0015178 |
6-methyl-1,3,8-tri-hydroxy-anthra-quinone |
E0500 |
EU-0100552 |
FT-0606539 |
FT-0667846 |
N1854 |
SW219906-1 |
1,8-Trihydroxy-6-methyl-9,10-anthraquinone |
Emodin, from Frangula bark, >=90% (HPLC) |
E 7881 |
J10081 |
K00056 |
Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone |
1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone |
1,3,8-Trihydroxy-6-methylanthra-9,10-quinone # |
1,6,8-trihydroxy-3-methylanthracene-9,10-dione |
518E821 |
A828825 |
Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI) |
Q-100581 |
Q4348178 |
SR-01000075615-1 |
SR-01000075615-6 |
BRD-K58685305-001-03-0 |
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI |
Emodin, United States Pharmacopeia (USP) Reference Standard |
1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione;3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE |
Experimental Data
emodin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -7.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Caenorhabditis elegans | 150.000000000000000 | umol/L | 19.740000000000000 | S | N2 | 29069955 | Active | ||||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 9.680000000000000 | S | N2 | 29069955 | Active |
Experimental Data Visualization
emodin
Statistics Data
emodin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 19.740000000000000 | 2 | 3 |
Statistics Data Visualization
emodin
