Summary

IMPPAT Phytochemical identifier: IMPHY016517

Phytochemical name: (+)-Arnicenone

Synonymous chemical names:
arnicenone

External chemical identifiers:
CID:42608193, ZINC:ZINC000059778937

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Chemical structure information

SMILES:
C[C@H]1CC(=O)[C@]2([C@]31CCC[C@]3(C)C=C2C)C

InChI:
InChI=1S/C15H22O/c1-10-8-12(16)14(4)11(2)9-13(3)6-5-7-15(10,13)14/h9-10H,5-8H2,1-4H3/t10-,13+,14-,15-/m0/s1

InChIKey:
RRCHUAUWSLVPRW-PUPMMZHASA-N

DeepSMILES:
C[C@H]CC=O)[C@][C@@]5CCC[C@]5C)C=C8C))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC23CCCC2C=CC13

Scaffold Graph/Node level:
OC1CCC23CCCC2CCC13

Scaffold Graph level:
CC1CCC23CCCC2CCC13

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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: Isocomane sesquiterpenoids

NP-Likeness score: 2.461

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Chemical structure download