Summary

IMPPAT Phytochemical identifier: IMPHY005887

Phytochemical name: Ochnaflavone

Synonymous chemical names:
ochnaflavone

External chemical identifiers:
CID:5492110, ChEMBL:CHEMBL187504, ZINC:ZINC000028462577, SureChEMBL:SCHEMBL13829452

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)Oc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O

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

InChIKey:
NNPGECDACGBKDH-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccccc6))Occcccc6O))))ccc=O)cco6)cccc6O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc(Oc3cccc(-c4cc(=O)c5ccccc5o4)c3)cc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCCC(C4CC(O)C5CCCCC5O4)C3)CC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCC(C4CC(C)C5CCCCC5C4)C3)CC2)CC2CCCCC12

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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: 0.732

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Chemical structure download