Summary

IMPPAT Phytochemical identifier: IMPHY008586

Phytochemical name: 8-Hydroxy-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione

Synonymous chemical names:
mamegakinone

External chemical identifiers:
CID:167673, SureChEMBL:SCHEMBL11919739

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(=O)C=C(C2=O)C1=CC(=O)c2c(C1=O)c(O)cc(c2)C

InChI:
InChI=1S/C22H14O6/c1-9-3-13-15(23)7-11(21(27)19(13)17(25)5-9)12-8-16(24)14-4-10(2)6-18(26)20(14)22(12)28/h3-8,25-26H,1-2H3

InChIKey:
FMQQGWMGTKBWHR-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)C=O)C=CC6=O))C=CC=O)ccC6=O))cO)ccc6)C

Functional groups:
O=C1C=C(C2=CC(=O)ccC2=O)C(=O)cc1, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CC(O)C3CCCCC3C2O)C(O)C2CCCCC12

Scaffold Graph level:
CC1CC(C2CC(C)C3CCCCC3C2C)C(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: 0.941

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Chemical structure download