Violaxanthin
Thuốc Gốc
Small Molecule
CTHH: C40H56O4
PTK: 600.8702
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C40H56O4
Phân tử khối
600.8702
Monoisotopic mass
600.41786028
InChI
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37-,38+,39+,40-/m1/s1
InChI Key
InChIKey=SZCBXWMUOPQSOX-PSXNNQPNSA-N
IUPAC Name
(1R,3R,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Traditional IUPAC Name
violaxanthin
SMILES
O[C@H]1C[C@]2(C)O[C@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C1
Độ hòa tan
5.68e-04 g/l
logP
7.26
logS
-6
pKa (strongest acidic)
14.84
pKa (Strongest Basic)
-2.7
PSA
65.52 Å2
Refractivity
192.33 m3·mol-1
Polarizability
74.29 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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