Basic information
- CAS
107900-76-5- Standard SMILES
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C- InChIKey
AAJIHHYEPHRIET-XEFAKFPISA-N- Molecular formula
- C30H48O3
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.36034539
Overview
Ganodermanondiol is a triterpenoid.
Names & identifiers
- Preferred name
- (5R,10S,13R,14R,17R)-17-((2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta(a)phenanthren-3-one
- IUPAC
- (5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- English name
- Gadermandiol
- Molecular formula
- C30H48O3
- Molecular weight
- 456.7
Names & synonyms
(5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one(5R,10S,13R,14R,17R)-17-((2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta(a)phenanthren-3-oneRefChem:1050619(+)-GanodermanondiolSCHEMBL902968orb1684585DTXSID40910578CHEBI:190726HY-N2996TN1670AKOS032946022FG42660
Show more names
GanoderManondiolGadermandiolLanosta-7,9(11)-dien-3-one,24,25-dihydroxy-, (24S)-
(5R,10S,13R,14R,17R)-17-((2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,4,5,6,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-oneDA-63695CS-002365524,25-Dihydroxylanosta-7,9(11)-dien-3-one(24S)-24,25-Dihydroxylanosta-7,9(11)-dien-3-oneLanost-7,9(11)-dien-3-one-, 24,25-dihydroxy-(24S)-Lanosta-7,9(11)-dien-3-one, 24,25-dihydroxy-, (24S)-(5R,10S,13R,14R,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 879
Physicochemical properties
- Boiling point
- 580.4 · 580.4±50.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 14.67 · 14.67±0.29(Predicted)
Chemistry & industry
Applications
UsesGanodermanondiol is a melanogenesis inhibitor isolated from the Ganoderma lucidum[1].Ganodermanondiol exhibits potent cytoprotective effects on tert-butyl hydroperoxide-induced hepatotoxicity[2]. Ganodermanondiol shows significant anti-HIV-1 protease activity with an IC50 of 90 μM[3]. Ganodermanondiol exhibits a strong anticomplement activity against the classical pathway of the complement system with an IC50 of 41.7μM[4].
Upstream & downstream products
Upstream raw materials
Suppliers72 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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