Summary

IMPPAT Phytochemical identifier: IMPHY009557

Phytochemical name: Blighinone

Synonymous chemical names:
blighinone

External chemical identifiers:
CID:131751064

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Chemical structure information

SMILES:
OC(=O)C1=CC(=O)C2=C(C1=O)C(=O)C(c1c2c(O)ccc1O)(C)O

InChI:
InChI=1S/C16H10O8/c1-16(24)12-7(18)3-2-6(17)10(12)9-8(19)4-5(15(22)23)13(20)11(9)14(16)21/h2-4,17-18,24H,1H3,(H,22,23)

InChIKey:
HQAVNPJFUKOUOI-UHFFFAOYSA-N

DeepSMILES:
OC=O)C=CC=O)C=CC6=O))C=O)Ccc6cO)ccc6O)))))))C)O

Functional groups:
CO, cC1=C(C(C)=O)C(=O)C(C(=O)O)=CC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C2=C1C(=O)Cc1ccccc12

Scaffold Graph/Node level:
OC1CCC(O)C2C3CCCCC3CC(O)C12

Scaffold Graph level:
CC1CCC(C)C2C3CCCCC3CC(C)C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Oxosteroids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP-Likeness score: 1.427

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Chemical structure download