Summary

IMPPAT Phytochemical identifier: IMPHY002712

Phytochemical name: Oxoflavidin

Synonymous chemical names:
oxoflavidin

External chemical identifiers:
CID:101326866, ZINC:ZINC000015216532

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Chemical structure information

SMILES:
Oc1cc2CCc3c4c2c(c1)oc(=O)c4cc(c3)O

InChI:
InChI=1S/C15H10O4/c16-9-3-7-1-2-8-4-10(17)6-12-14(8)13(7)11(5-9)15(18)19-12/h3-6,16-17H,1-2H2

InChIKey:
XMSDWEFZWTUPIT-UHFFFAOYSA-N

DeepSMILES:
OcccCCccc6cc%10)oc=O)c6ccc%10)O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2cccc3c2c2c(cccc12)CC3

Scaffold Graph/Node level:
OC1OC2CCCC3CCC4CCCC1C4C32

Scaffold Graph level:
CC1CC2CCCC3CCC4CCCC1C4C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.077

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Chemical structure download