UCSF

ZINC01532860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 16 Yes

Popular Name: Farnesol Farnesol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106-28-5 , 4602-84-0 , 6995-79-5 , [106-28-5] , [4602-84-0] , [6995-79-5]

Other Names:

(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol; (2E,6E)-farnesol; (E)-farnesol; (E,E)-farnesol; all-trans-farnesol; trans,trans-alpha-farnesol; trans,trans-farnesol; trans-farnesol

(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; (2E,6E)-Farnesol; (E,E)-Farnesol; (E)-farnesol; 2-cis,6-trans-Farnesol; 2-trans,6-trans-Farnesol; 2,6-Di-trans-Farnesol; 3,7,11-Trimethyl-2,6,10-

(2-trans,6-trans)-farnesol

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

(2E,6E)-Farnesol; 106-28-5; 2-trans,6-trans-Farnesol; C01126; trans-Farnesol

(E,E)-Farnesol

(E,E,)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; (E,E,)-farnesol; 2-TRANS6-TRANS-FARNESOL; 2-trans,-6-trans-farnesol; 2-trans-S-6-trans-farnesol

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; 3,7,11-Trimethyl-2,6,10-dodecatrienol; AI3-44561; EINECS 225-004-1; EPA Pesticide Chemical Code 128911; FCI 119a; FEMA No. 2478; Farnesol; Farnesyl alcohol; HSDB 445; LS

2-cis,6-trans-Farnesol;2-trans,6-trans-Farnesol;3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol;Farnesol;Farnesyl alcohol;FCI 119a;Nikkosome

2E,6E-farnesol

3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

3,7,11-trimethyl-2,6,10-dodecatrien-1-ol; 3,7,11-trimethyl-2,6,10-dodecatrienol; farnesyl alcohol

C06081; Polyprenol

CHEBI:19788; CHEBI:11487; CHEBI:1286

CHEBI:24013; CHEBI:24014; CHEBI:4978

Farnesol (mixture of isomers)

Farnesol with GC [4602-84-0]; (3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol)

FARNESOL with GC; [4602-84-0]

Farnesol, 96%, mixture of isomers

Farnesol, mixture of isomers

Farnesol, mixture of isomers, 96%

MFCD00002918

trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

trans,trans-Farnesol

trans,trans-Farnesol, 97%

trans-1,4-Cyclohexanediol

trans-1,4-Cyclohexanediol, 99%+

trans-Cyclohexane-1,4-diol

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.05 7.82 -3.27 1 1 0 20 222.372 7 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 137?/3mm Alfa-Aesar
Boiling_Point 137°/3mm Alfa-Aesar
BP 143 / 6 TCI
BP [°C] 149 (p=4 torr) Acros Organics
Boiling_Point 159-160?/10mm Alfa-Aesar
Boiling_Point 159-160°/10mm Alfa-Aesar
UniProt Database Links ACSS_MAIZE; AIM21_YEAST; CG13_CANAL; HAT2_YEAST; HGC1_CANAL; HMNGT_SORBI; HWP1_CANAL; INO1_HUMAN; NAGS_CANAL; NR1H4_BOVIN; NR1H4_HUMAN; NR1H4_MOUSE; NR1H4_RAT; PPB_YEAST; RBT1_CANAL; RDH16_HUMAN; SOD4_CANAL; TUP1_CANAL; Y3376_MYCTU ChEBI
UniProt Database Links ACSS_MAIZE; PPB_YEAST ChEBI
Patent Database Links EP1666021; EP1705171; EP1767185; EP1810694; EP1886685; US2002049346; US2002187532; US2005266457; US2007218016; US2007219131; US2007224154; US2007224155; US2007265352; US2008070981; US2008216184; WO2007104790 ChEBI
Target Interleukin-10(P22301)&60S acidic ribosomal protein P0(P05388)&60S acidic ribosomal protein P1(P05386)&60S acidic ribosomal protein P2(P05387)&Annexin A5(P08758)&C-C motif chemokine 5(P13501)&Stromal cell-derived factor 1(P48061)&C-C chemokine receptor ty Herbal Ingredients Targets
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links WO2006066863 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50442-3-O Candida Albicans (cluster #3 Of 4), Other Other 1000 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50442 Z50442 Candida Albicans 1000 0.53 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )