| PDB CCD ID: | VQA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C32 H40 O3 |
| InChI: | InChI=1S/C32H40O3/c1-24(25-15-10-7-11-16-25)32-22-21-29(33)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30(34)35/h7-8,10-13,15-18,28-29,33H,1-6,9,14,19-23H2,(H,34,35)/t28-,29+,32-/m0/s1 |
| InChIKey: | YGTFMMNUBBGVSN-LBRLCBGXSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c4ccc(C(=C)/C31C(CC(CCCCCCCCCC(O)=O)=C1c2ccccc2)C(O)CC3)cc4 | | OpenEye OEToolkits 2.0.7 | C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O | | CACTVS 3.385 | O[CH]1CC[C]2([CH]1CC(=C2c3ccccc3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | C=C(c1ccccc1)C23CCC(C2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O | | CACTVS 3.385 | O[C@@H]1CC[C@@]2([C@H]1CC(=C2c3ccccc3)CCCCCCCCCC(O)=O)C(=C)c4ccccc4 |
|
| Name: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid |
| ChEMBL: | CHEMBL4288251 |
