Secondary metabolite:Humulene epoxide II



EOCID000003
Summary

sCentInDB Chemical identifier: EOCID000003

Chemical name: Humulene epoxide II

Molecular formula: C15H24O

SMILES: C/C/1=CCC(C)(C)/C=C/C[C@@]2([C@@H](CC1)O2)C

InChI: InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1

InChIKey: QTGAEXCCAPTGLB-UOAUIWSESA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Organoheterocyclic compounds

Class: Epoxides

Subclass:

Synonymous chemical name(s):
humulene epoxide-ii, humulene epoxide ii, humilene epoxide ii, humulene epoxide 2, humulene epoxideii, humulene oxide ii, humulene 1,2-epoxide, humulene oxide-ii, humulene expoxide-ii, humuleneepooxideii, humulene epoxide ll, humulene-epoxyde ii, humulene-1,2-epoxide, humelene-1, 2-epoxide, 12-oxabicyclo [9.1.0] dodeca-3,7-diene, 1,5,5,8-tetramethyl-,[1r-(1r*,3e,7e,11r*)]-, α-humulene-1,2-epoxide, humulene epoxide (ii)

External chemical identifier(s):
CID:10704181, CHEMBL3120651, CHEMSPIDER:8879522, ZINC000100060373, MOLPORT:027-720-800

Chemical structure download

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