Summary

IMPPAT Phytochemical identifier: IMPHY003078

Phytochemical name: Kuwanon D

Synonymous chemical names:
kuwanon d

External chemical identifiers:
CID:3081548, ChEBI:175376

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Chemical structure information

SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1cc2c(cc1O)OC1(C3C2C(C3CC1)(C)C)C

InChI:
InChI=1S/C25H26O6/c1-24(2)14-4-5-25(3)23(14)22(24)13-8-12(15(27)9-19(13)31-25)18-10-17(29)21-16(28)6-11(26)7-20(21)30-18/h6-9,14,18,22-23,26-28H,4-5,10H2,1-3H3

InChIKey:
IJVOVAHXZFALHZ-UHFFFAOYSA-N

DeepSMILES:
OcccOCCC=O)c6cc%10)O)))))cccccc6O)))OCCC6CC4CC7)))C)C))))C

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc3c(c2)C2CC4CCC(O3)C42)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCC3OC4CCC5CC(C3C2)C54)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CC4CCC5CC(C3C2)C45)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.642

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Chemical structure download