V8Z
(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Created: | 2021-04-30 |
Last modified: | 2021-07-07 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene |
Synonyms | (1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene; 134687947; alpha-Caryophyllene; 3,7,10-Humulatriene |
Systematic Name (OpenEye OEToolkits) | (1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
Formula | C15 H24 |
Molecular Weight | 204.351 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC1=CCC(C)(C)C=CCC(=CCC1)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(C=CCC(=CCC1)C)(C)C |
Canonical SMILES | CACTVS | 3.385 | CC\1=C/CC(C)(C)\C=C\C\C(=C\CC\1)C |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
InChIKey | InChI | 1.03 | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5281520 |
ChEMBL | CHEMBL251280 |
ChEBI | CHEBI:5768 |