Tìm theo
Equilenin
Thuốc Gốc
Small Molecule
CTHH: C18H18O2
PTK: 266.3343
An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18O2
Phân tử khối
266.3343
Monoisotopic mass
266.13067982
InChI
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1
InChI Key
InChIKey=PDRGHUMCVRDZLQ-WMZOPIPTSA-N
IUPAC Name
(11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaen-14-one
Traditional IUPAC Name
(11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaen-14-one
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=C1C=CC(O)=C2
Độ hòa tan
5.20e-03 g/l
logP
4.3
logS
-4.7
pKa (strongest acidic)
9.78
pKa (Strongest Basic)
-5.5
PSA
37.3 Å2
Refractivity
79.04 m3·mol-1
Polarizability
30.11 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03515
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=444865
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46509080
ChemSpider
http://www.chemspider.com/Chemical-Structure.392668.html
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