Summary

IMPPAT Phytochemical identifier: IMPHY008188

Phytochemical name: [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-

Synonymous chemical names:
biramentaceone

External chemical identifiers:
CID:633060, SureChEMBL:SCHEMBL11919738

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)C1=CC(=O)c2c(C1=O)cc(cc2O)C

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

InChIKey:
WZWDIPBLRMIRHM-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)C=O)C=CC6=O)))C=CC=O)ccC6=O))cccc6O)))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: 0.945

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Chemical structure download