Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004633

Phytochemical name: Blighinone

Synonymous chemical names:
Blighinone, blighinone

External chemical identifiers:
CID:CID_137185904

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Chemical structure information

SMILES:
O=C1C=CC(=O)C2=C1c1c(O)cc(c(c1C(=O)C2(C)O)O)C(=O)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/h2-4,19-20,24H,1H3,(H,22,23)

InChIKey:
YFUQJMOETZJFHO-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=O)C=C6ccO)cccc6C=O)C%10C)O))))O))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C2=C1CC(=O)c1ccccc12

Scaffold Graph/Node level:
OC1CC2C(O)CCC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2C(C)CCC(C)C2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Hydrophenanthrenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.52

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Chemical structure download