Summary

IMPPAT Phytochemical identifier: IMPHY009268

Phytochemical name: Oplopanone

Synonymous chemical names:
oplopanone

External chemical identifiers:
CID:10466745, ChEMBL:CHEMBL4097977, ZINC:ZINC000038918836, MolPort-035-706-179

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@@]([C@H]2[C@H]1[C@H](CC2)C(=O)C)(C)O)C

InChI:
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1

InChIKey:
WLXJHVQYKOJBBN-NJVJYBDUSA-N

DeepSMILES:
CC[C@@H]CC[C@@][C@H][C@H]6[C@H]CC5))C=O)C)))))C)O)))))C

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Oplopane sesquiterpenoids

NP-Likeness score: 2.677

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Chemical structure download