Summary

IMPPAT Phytochemical identifier: IMPHY003144

Phytochemical name: Norsolorinic acid

Synonymous chemical names:
norsolorinic acid

External chemical identifiers:
CID:25102, ChEBI:71356, ZINC:ZINC000004984483, FDASRS:Q1W7A6D0J6

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Chemical structure information

SMILES:
CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O

InChI:
InChI=1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3

InChIKey:
XIJDBHLQUYAZJI-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)ccO)cccc6O))C=O)ccC6=O))cccc6O)))O

Functional groups:
cC(C)=O, cC(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.608

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Chemical structure download