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Name | CHEMBL3315351 |
---|---|
Molecular formula | C22H34O4 |
IUPAC name | (E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid |
Molecular weight | 362.51 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | 3-Acetoxy-8(17),13E-labdadien-15-oic acid BDBM50049429 MolPort-039-338-374 (2e)-5-[(1s,4ar,6s,8ar)-6-acetoxy-5,5,8a-trimethyl-2-methylenedec Ahydro-1-naphthalenyl]-3-methyl-2-pentenoic Acid ZINC34171406 [ Show all ] |
Inchi Key | OMNJRQNCWHCCBZ-BULWIKRESA-N |
Inchi ID | InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1 |
PubChem CID | 13858192 |
ChEMBL | CHEMBL3315351 |
IUPHAR | N/A |
BindingDB | 50049429 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
451334 | Taste receptor type 2 member 31 | P59538 | TAS2R31 | Homo sapiens (Human) | 309 |
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