Summary

IMPPAT Phytochemical identifier: IMPHY001558

Phytochemical name: Kuwanon F

Synonymous chemical names:
kuwanon f

External chemical identifiers:
CID:156149, ChEMBL:CHEMBL4160223, ChEBI:175377

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Chemical structure information

SMILES:
CC(=CCCC1(C)C=Cc2c(O1)cc(c(c2)C1CC(=O)c2c(O1)cc(cc2O)O)O)C

InChI:
InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-15-9-17(18(27)12-21(15)31-25)22-13-20(29)24-19(28)10-16(26)11-23(24)30-22/h5-6,8-12,22,26-28H,4,7,13H2,1-3H3

InChIKey:
FZAZNGMSARSUNC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC)C=CccO6)cccc6)CCC=O)ccO6)cccc6O)))O)))))))))O)))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc3c(c2)C=CCO3)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCC3OCCCC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCCC3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 3.043

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Chemical structure download