Summary

IMPPAT Phytochemical identifier: IMPHY005457

Phytochemical name: Cupressuflavone

Synonymous chemical names:
cupressuflavone

External chemical identifiers:
CID:5281609, ChEMBL:CHEMBL1208973, ChEBI:3960, ZINC:ZINC000004098511, SureChEMBL:SCHEMBL505213, MolPort-009-754-975

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O

InChI:
InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H

InChIKey:
LADPNODMUXOPRG-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O)))O))ccO)cccc6occc6=O)))cccccc6))O)))))))))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(-c3cccc4c(=O)cc(-c5ccccc5)oc34)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1CCCC2C(O)CC(C3CCCCC3)OC21

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCC2C(C)CC(C3CCCCC3)CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.799

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Chemical structure download