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Solanesol (Nonaisoprenol)

CAT: 0957-S2360-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S2360-100mgSize:100 mg
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CAS Number
13190-97-1
Synonyms
Nonaisoprenol, Betulanonaprenol
Target
FAK
Applications
Protein Tyrosine Kinase
Smiles
CC (=CCCC (=CCCC (=CCCC (=CCCC (=CCCC (=CCCC (=CCCC (=CCCC (=CCO) C) C) C) C) C) C) C) C) C
Molecular Formula
C45H74O
Additionnal Information
Solanesol (Nonaisoprenol, Betulanonaprenol) is a long-chain polyisoprenoid alcohol compound with inhibitory activities toward FAK. It mainly accumulates in solanaceous crops, including tobacco, tomato, potato, eggplant, and pepper plants.
Storage Conditions
2 years -80 in solvent

Chemical Information

Solanesol

Solanesol is a nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). It has a role as a plant metabolite. It is a primary alcohol and a nonaprenol.

CAS Number13190-97-1
PubChem CID5477212
IUPAC Name(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
Molecular FormulaC45H74O
Molecular Weight631.1
XLogP15.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count25
Heavy Atom Count46
Formal Charge0
Complexity1100
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
InChIKey
AFPLNGZPBSKHHQ-MEGGAXOGSA-N
Chemical Structure
2D Structure
2D structure of Solanesol
CAS: 13190-97-1
CID: 5477212
Formula: C45H74O
MW: 631.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight631.1
XLogP315.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count25
Exact Mass630.57396698
Monoisotopic Mass630.57396698
Topological Polar Surface Area20.2 Ų
Heavy Atom Count46
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes