Summary

IMPPAT Phytochemical identifier: IMPHY006091

Phytochemical name: (-)-Kuwanon K

Synonymous chemical names:
kuwanon k

External chemical identifiers:
CID:5491771

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Chemical structure information

SMILES:
CC(=CCc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1O)[C@H]1C=C(C)C[C@H]([C@@H]1C(=O)c1ccc(cc1O)O)c1ccc(cc1O)O)O)C

InChI:
InChI=1S/C40H36O11/c1-18(2)4-7-25-39(50)36-32(47)16-22(43)17-33(36)51-40(25)26-10-11-29(44)35(38(26)49)28-13-19(3)12-27(23-8-5-20(41)14-30(23)45)34(28)37(48)24-9-6-21(42)15-31(24)46/h4-6,8-11,13-17,27-28,34,41-47,49H,7,12H2,1-3H3/t27-,28-,34-/m0/s1

InChIKey:
FEAIYAOTVUYWQZ-AIQWNVMPSA-N

DeepSMILES:
CC=CCccoccc6=O))cO)ccc6)O)))))))cccccc6O))[C@H]C=CC)C[C@H][C@@H]6C=O)cccccc6O)))O)))))))cccccc6O)))O)))))))))))O)))))))))C

Functional groups:
CC(C)=CC, CC=C(C)C, c=O, cC(C)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)C1C(c2cccc(-c3cc(=O)c4ccccc4o3)c2)C=CCC1c1ccccc1

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC(C4CCCCC4)C3C(O)C3CCCCC3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC(C4CCCCC4)C3C(C)C3CCCCC3)C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones, Flavones

NP-Likeness score: 1.846

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Chemical structure download