Summary

IMPPAT Phytochemical identifier: IMPHY008623

Phytochemical name: Mansonone H

Synonymous chemical names:
mansonone h

External chemical identifiers:
CID:615515, ChEMBL:CHEMBL3892391

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Chemical structure information

SMILES:
O=C1C(=C2OCC(c3c2c(C1=O)c(C)cc3O)C)C

InChI:
InChI=1S/C15H14O4/c1-6-4-9(16)10-7(2)5-19-15-8(3)13(17)14(18)11(6)12(10)15/h4,7,16H,5H2,1-3H3

InChIKey:
VMUMUNGCHYCMDR-UHFFFAOYSA-N

DeepSMILES:
O=CC=COCCcc6cC%10=O))cC)cc6O)))))))C)))))C

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

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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: 2.267

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Chemical structure download