Summary

IMPPAT Phytochemical identifier: IMPHY017601

Phytochemical name: Khusian-2-one

Synonymous chemical names:
khusian-2-one (helifolan-2-one)

External chemical identifiers:
CID:6428390

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Chemical structure information

SMILES:
C[C@@H]1CCC2[C@]31CCC(C(=O)C3)(C2(C)C)C

InChI:
InChI=1S/C15H24O/c1-10-5-6-11-13(2,3)14(4)7-8-15(10,11)9-12(14)16/h10-11H,5-9H2,1-4H3/t10-,11?,14?,15-/m1/s1

InChIKey:
UHZYAHDPWSUMQZ-ZGBLGHFFSA-N

DeepSMILES:
C[C@@H]CCC[C@@]5CCCC=O)C6))C6C)C))C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCCC2CC1CC3

Scaffold Graph/Node level:
OC1CC23CCCC2CC1CC3

Scaffold Graph level:
CC1CC23CCCC2CC1CC3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.452

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Chemical structure download