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Alisol A

CAT: 0013-GTR19170813-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170813-01Size:1 mg
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Description
Alisol A is a natural triterpenoid identified as an autophagic inducer with anti-cancer properties. It demonstrates inhibitory activity against various cancer cell lines, including HepG2, MDA-MB-231, and MCF-7, in vitro, making it a compound of interest for oncology and autophagy research.
CAS Number
19885-10-0
Product Name Alternative
Inhibitor, inhibit, Alisol A, Alisol-A, Autophagy
Field of Research
Cell Biology, Epigenetics & Chromatin, Immunology & Inflammation, Metabolism Research, Molecular Biology, Protein Biochemistry, Signal Transduction
Purity
99.77% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.72 mM) ; DMSO:98 mg/mL (199.71 mM)
Smiles
[H][C@@]12CC[C@@]3 (C) [C@@] ([H]) ([C@@H] (O) CC4=C (CC[C@]34C) [C@H] (C) C[C@H] (O) [C@@H] (O) C (C) (C) O) [C@@]1 (C) CCC (=O) C2 (C) C
Molecular Formula
C30H50O5
Molecular Weight
490.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alisol A

has anti-hepatitis B virus activity; structure

CAS Number19885-10-0
PubChem CID15558616
IUPAC Name(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H50O5
Molecular Weight490.7
XLogP3.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity904
SMILES
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI
InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey
HNOSJVWYGXOFRP-UNPOXIGHSA-N
Chemical Structure
2D Structure
2D structure of Alisol A
CAS: 19885-10-0
CID: 15558616
Formula: C30H50O5
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass490.36582469
Monoisotopic Mass490.36582469
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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