Tìm theo
Farnesol
Thuốc Gốc
Small Molecule
CAS: 4602-84-0
CTHH: C15H26O
PTK: 222.3663
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)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H26O
Phân tử khối
222.3663
Monoisotopic mass
222.198365454
InChI
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-
InChI Key
InChIKey=CRDAMVZIKSXKFV-FBXUGWQNSA-N
IUPAC Name
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Traditional IUPAC Name
farnesol
SMILES
CC(C)=CCC\C(C)=C/CC\C(C)=C/CO
Độ tan chảy
< 25 °C
Độ sôi
111 °C at 3.50E-01 mm Hg
Độ hòa tan
5.87e-02 g/l
logP
4.16
logS
-3.6
pKa (strongest acidic)
16.33
pKa (Strongest Basic)
-2.2
PSA
20.23 Å2
Refractivity
74.98 m3·mol-1
Polarizability
28.64 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02509
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1549107
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508260
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01493
ChemSpider
http://www.chemspider.com/Chemical-Structure.1266073.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11021
Wikipedia
http://en.wikipedia.org/wiki/Farnesol
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