Summary

IMPPAT Phytochemical identifier: IMPHY007519

Phytochemical name: Latinone

Synonymous chemical names:
latinone

External chemical identifiers:
CID:10021410, ChEMBL:CHEMBL453557, ZINC:ZINC000034095443

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Chemical structure information

SMILES:
COC1=CC(=O)c2c(C1=O)c1cc(OC)c(cc1c(c2)c1ccccc1)O

InChI:
InChI=1S/C22H16O5/c1-26-19-10-15-14(9-18(19)24)13(12-6-4-3-5-7-12)8-16-17(23)11-20(27-2)22(25)21(15)16/h3-11,24H,1-2H3

InChIKey:
WAAZBXYZFBGWND-UHFFFAOYSA-N

DeepSMILES:
COC=CC=O)ccC6=O))cccOC))ccc6cc%10)cccccc6)))))))))O

Functional groups:
COC1=CC(=O)ccC1=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2c1cc(-c1ccccc1)c1ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2C1CC(C1CCCCC1)C1CCCCC12

Scaffold Graph level:
CC1CCC(C)C2C1CC(C1CCCCC1)C1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Phenylnaphthalenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.343

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Chemical structure download