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Ganoderiol F

CAT: 0931-TMA1012-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMA1012-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114567-47-4
Target
Autophagy, HIV Protease, Androgen Receptor
Related Pathways
Endocrinology/Hormones, Proteases/Proteasome, Autophagy, Microbiology/Virology
Bioactivity
Ganoderiol F has anti-inflammatory, cytotoxic and anti-HIV activity, it inhibits activity of topoisomerases in vitro, and it inhibits human immunodeficiency virus-1 protease with IC (50) values of 20-40 microM. It induced HO-1 expression, activation of the mitogen-activated protein kinase EKR and up-regulation of cyclin-dependent kinase inhibitor p16 and suppressed lipopolysaccharide (LPS) -induced nitric oxide (NO) production.
Smiles
C[C@]12C=3C([C@]4(C)[C@@](CC3)(C(C)(C)C(=O)CC4)[H])=CC[C@]1(C)[C@@]([C@@H](CCC=C(CO)CO)C)(CC2)[H]
Molecular Formula
C30H46O3
Molecular Weight
454.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ganoderiol F

Ganoderiol F is a triterpenoid.

CAS Number114567-47-4
PubChem CID471008
IUPAC Name(5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP5.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity886
SMILES
C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
InChI
InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
InChIKey
JVGJXXNUVVQEIG-MCKXIFHVSA-N
Chemical Structure
2D Structure
2D structure of Ganoderiol F
CAS: 114567-47-4
CID: 471008
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity886
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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