Summary

IMPPAT Phytochemical identifier: IMPHY004953

Phytochemical name: Cyperolone

Synonymous chemical names:
cyperolone

External chemical identifiers:
CID:5316283, ChEBI:80814, ZINC:ZINC000033830473, SureChEMBL:SCHEMBL19419895

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@@]2([C@@](C1)(C(=O)C)[C@@H](O)CC2)C

InChI:
InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3/t12-,13+,14+,15+/m1/s1

InChIKey:
YALFFHSIVPCNLF-QPSCCSFWSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@][C@@]C6)C=O)C))[C@@H]O)CC5))))C

Functional groups:
C=C(C)C, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Iphionane sesquiterpenoids

NP-Likeness score: 2.469

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Chemical structure download