HIT ID: HIT100206693

Cas No: 165187-16-6

分子式: C23H30O4

分子量: 370.489

常用名: Cylindrol B

氢键受体数 (HBA): 4

氢键供体数 (HBD): 2

LogP: 6.05

IUPAC: 2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde

SMILES: C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(\C)=C\Cc1c(O)cc(C)c(C=O)c1O

InChI key: AQCKKGIVKOHRLM-HBFAXEOFSA-N