Summary

IMPPAT Phytochemical identifier: IMPHY000604

Phytochemical name: 1,4-Dihydroxy-2-carboethoxyanthraquinone

Synonymous chemical names:
1,4-dihydroxy-2-carboethoxyanthraquinone

Chemical structure information

SMILES:
COC(=O)c1ccc2c(c1)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C16H10O4/c1-20-16(19)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8H,1H3

InChIKey:
JJFLSBOGTGPZMM-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6)C=O)ccC6=O))cccc6

Functional groups:
cC(=O)OC, cC(c)=O

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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: Anthracenecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: -0.001

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Chemical structure download