Summary

IMPPAT Phytochemical identifier: IMPHY011563

Phytochemical name: Curzerenone

Synonymous chemical names:
curzerenone, curzerenone (2), zedoarone

External chemical identifiers:
CID:3081930, ChEBI:80812, ZINC:ZINC000013412797, MolPort-039-141-865

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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-ZFWWWQNUSA-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