Summary

IMPPAT Phytochemical identifier: IMPHY006568

Phytochemical name: Acolamone

Synonymous chemical names:
acolamone

External chemical identifiers:
CID:71587142, FDASRS:NKD3ZNY0IP

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Chemical structure information

SMILES:
C=C1CCC[C@]2([C@H]1C(=O)[C@@H](CC2)C(C)C)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1

InChIKey:
TYQALBNCJWAILN-GZBFAFLISA-N

DeepSMILES:
C=CCCC[C@][C@H]6C=O)[C@@H]CC6))CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCC(=O)C12

Scaffold Graph/Node level:
CC1CCCC2CCCC(O)C12

Scaffold Graph level:
CC1CCCC2CCCC(C)C12

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.551

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Chemical structure download