compound 1 [PMID: 1895299] (Q27076377)

CHEMBL418776 (English)

3 October 2016

chemical formula

C₂₄H₃₇O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C

1 reference

CHEMBL418776 (English)

3 October 2016

isomeric SMILES

CC[C@H](C)C(=O)O[C@@H]1C[C@H](C=C2C1[C@H]([C@H](C=C2)C)CC[C@H](C[C@@H](CC(=O)[O-])O)O)C

1 reference

CHEMBL418776 (English)

InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21+,23?/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL418776 (English)

QLJODMDSTUBWDW-VPUMEXOFSA-M

3 October 2016

InChIKey

1 reference

CHEMBL418776 (English)

3 October 2016

1 reference

(3S,5R)-7-[(1S,2S,6R,8R)-2,6-Dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoate (English)

3 October 2016

2 references

CHEMBL418776 (English)

matched by identifier from

3 October 2016

InChIKey

QLJODMDSTUBWDW-VPUMEXOFSA-M

ChEMBL ID

CHEMBL1207599

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

2975

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2975

compound 1 [PMID: 1895299] (English)