Summary

IMPPAT Phytochemical identifier: IMPHY009461

Phytochemical name: Orientalone

Synonymous chemical names:
orientalone

External chemical identifiers:
CID:12742405, ChEBI:174392

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Chemical structure information

SMILES:
COC1=CC(=O)c2c(C1=O)c(O)c(c(c2)C)C(=O)C

InChI:
InChI=1S/C14H12O5/c1-6-4-8-9(16)5-10(19-3)13(17)12(8)14(18)11(6)7(2)15/h4-5,18H,1-3H3

InChIKey:
RRQIDDGRIQVTGM-UHFFFAOYSA-N

DeepSMILES:
COC=CC=O)ccC6=O))cO)ccc6)C))C=O)C

Functional groups:
COC1=CC(=O)ccC1=O, cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.922

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Chemical structure download