Secondary metabolite:Calarene



EOCID003251
Summary

sCentInDB Chemical identifier: EOCID003251

Chemical name: Calarene

Molecular formula: C15H24

SMILES: CC1CCC=C2C1(C)C1C(C1(C)C)CC2

InChI: InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3

InChIKey: MBIPADCEHSKJDQ-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Prenol lipids

Subclass: Sesquiterpenoids


Synonymous chemical name(s):
calarene, β-gurjunene (=calarene), β-gurjurene


External chemical identifier(s):
CID:28481, CHEMSPIDER:26497, SURECHEMBL:SCHEMBL2513685


Spectrabase ID:
87hpGtc5pAX


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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