Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010548

Phytochemical name: Mansonone M

Synonymous chemical names:
Mansonone M, mansonone m

External chemical identifiers:
CID:CID_14544217

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Chemical structure information

SMILES:
COc1cc(C)c2c3c1C(C)COC3=C(C(=O)C2=O)C

InChI:
InChI=1S/C16H16O4/c1-7-5-10(19-4)11-8(2)6-20-16-9(3)14(17)15(18)12(7)13(11)16/h5,8H,6H2,1-4H3

InChIKey:
OVVQUWWPZAAYMD-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6CC)COC6=CC=O)C%10=O)))C

Functional groups:
cOC, COC1=C(C)C(=O)C(=O)cc1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2OCCc3cccc(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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.842

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Chemical structure download