Summary
SMILES: CC(=CCc1c(O)ccc(c1O)C(=O)[C@@H]1[C@@H](C=C(C[C@H]1c1ccc(cc1O)O)C)c1c(O)cc(cc1O)/C=C/c1ccc(cc1O)O)CInChI: InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m0/s1InChIKey: HGFWVFTZYRJFRI-LJBAAKLNSA-N
DeepSMILES: CC=CCccO)cccc6O))C=O)[C@@H][C@@H]C=CC[C@H]6cccccc6O)))O)))))))C)))ccO)cccc6O)))/C=C/cccccc6O)))O)))))))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C(c1ccccc1)C1C(c2ccc(C=Cc3ccccc3)cc2)C=CCC1c1ccccc1
Scaffold Graph/Node level: OC(C1CCCCC1)C1C(C2CCCCC2)CCCC1C1CCC(CCC2CCCCC2)CC1
Scaffold Graph level: CC(C1CCCCC1)C1C(C2CCCCC2)CCCC1C1CCC(CCC2CCCCC2)CC1
Functional groups: CC(C)=CC; CC=C(C)C; c/C=C/c; cC(C)=O; cO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Diarylheptanoids
ClassyFire Subclass: Linear diarylheptanoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Stilbenoids|Flavonoids
NP Classifier Class: Chalcones|Monomeric stilbenes
Synonymous chemical names:kuwanol e
External chemical identifiers:CID:101685339; ZINC:ZINC000085991627
Chemical structure download