Summary

IMPPAT Phytochemical identifier: IMPHY011977

Phytochemical name: Epicurzerenone

Synonymous chemical names:
epicurzerenone

External chemical identifiers:
CID:5317062, ZINC:ZINC000100824325, MolPort-039-338-611

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Chemical structure information

SMILES:
C=C[C@]1(C)Cc2occ(c2C(=O)[C@@H]1C(=C)C)C

InChI:
InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15+/m0/s1

InChIKey:
ZVMJXSJCBLRAPD-DZGCQCFKSA-N

DeepSMILES:
C=C[C@]C)Ccoccc5C=O)[C@@H]9C=C)C)))))C

Functional groups:
C=C(C)C, C=CC, cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCc2occc21

Scaffold Graph/Node level:
OC1CCCC2OCCC12

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.653

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Chemical structure download