Summary

IMPPAT Phytochemical identifier: IMPHY008622

Phytochemical name: Mansonone F

Synonymous chemical names:
mansonone f

External chemical identifiers:
CID:94304, ChEMBL:CHEMBL197655, ZINC:ZINC000001704127, FDASRS:BZI06H42QB, SureChEMBL:SCHEMBL3397051

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Chemical structure information

SMILES:
CC1=C2OC=C(c3c2c(C(=O)C1=O)c(C)cc3)C

InChI:
InChI=1S/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3

InChIKey:
WSRLWSPFIOAYST-UHFFFAOYSA-N

DeepSMILES:
CC=COC=Ccc6cC=O)C%10=O)))cC)cc6))))))C

Functional groups:
CC1=COC2=C(C)C(=O)C(=O)cc2c1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2OC=Cc3cccc(c32)C1=O

Scaffold Graph/Node level:
OC1CC2OCCC3CCCC(C1O)C32

Scaffold Graph level:
CC1CC2CCCC3CCCC(C1C)C32

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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: 1.809

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Chemical structure download