FOH
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Created: | 1999-12-08 |
Last modified: | 2021-03-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 42 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
Synonyms | cis,cis-Farnesol |
Systematic Name (OpenEye OEToolkits) | (2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
Formula | C15 H26 O |
Molecular Weight | 222.366 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C/C(C)=C/CC\C(=C/CCC(C)=[C@H]CO)C |
SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCO |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCO)C)C)C |
Canonical SMILES | CACTVS | 3.385 | CC(C)=CCC\C(C)=C/CC\C(C)=C/CO |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C |
InChI | InChI | 1.03 | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11- |
InChIKey | InChI | 1.03 | CRDAMVZIKSXKFV-FBXUGWQNSA-N |
Drug Info: DrugBank
DrugBank ID | DB02509 |
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Name | Farnesol |
Groups | experimental |
Description | A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) |
Synonyms | Farnesol |
Brand Names |
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Categories |
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CAS number | 4602-84-0 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Bile acid receptor | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQN... | unknown | agonist |
Amine oxidase [flavin-containing] B | MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK... | unknown | |
Amine oxidase [flavin-containing] B | MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK... | unknown | inhibitor |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 1549107 |
ChEBI | CHEBI:42680 |