Summary

IMPPAT Phytochemical identifier: IMPHY007750

Phytochemical name: Caviunin

Synonymous chemical names:
caviunin

External chemical identifiers:
CID:6708635, ChEMBL:CHEMBL1945735, SureChEMBL:SCHEMBL13730355

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1c1coc2c(c1=O)c(O)c(c(c2)O)OC)OC

InChI:
InChI=1S/C19H18O8/c1-23-12-7-14(25-3)13(24-2)5-9(12)10-8-27-15-6-11(20)19(26-4)18(22)16(15)17(10)21/h5-8,20,22H,1-4H3

InChIKey:
SHONUJDWRZAHCQ-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccoccc6=O))cO)ccc6)O))OC)))))))))))OC

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.275

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Chemical structure download