Summary

IMPPAT Phytochemical identifier: IMPHY008828

Phytochemical name: Mansonone D

Synonymous chemical names:
mansonone d

External chemical identifiers:
CID:3083888, ChEMBL:CHEMBL513280, SureChEMBL:SCHEMBL9863906

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Chemical structure information

SMILES:
O=C1C(=Cc2c(C1=O)c(C)cc1c2C(C)CO1)C

InChI:
InChI=1S/C15H14O3/c1-7-5-11-12(9(3)6-18-11)10-4-8(2)14(16)15(17)13(7)10/h4-5,9H,6H2,1-3H3

InChIKey:
LTOSSAVPMIKCBC-UHFFFAOYSA-N

DeepSMILES:
O=CC=CccC6=O))cC)ccc6CC)CO5))))))))))C

Functional groups:
CC1=CccC(=O)C1=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2c(ccc3c2CCO3)C1=O

Scaffold Graph/Node level:
OC1CCC2C3CCOC3CCC2C1O

Scaffold Graph level:
CC1CCC2C3CCCC3CCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 2.252

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Chemical structure download