Basic information
- CAS
139954-00-0- Standard SMILES
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1(C)[C@@H]2C=CC2=C(O)C(=O)C(=O)C21C- InChIKey
KIAKLFLISZCITK-DUYCYYQJSA-N- Molecular formula
- C22H30O4
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.21440943
Names & identifiers
- Preferred name
- (3S,5R,9R,10S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione
- IUPAC
- (3S,5R,9R,10S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione
- English name
- palbinone
- Molecular formula
- C22H30O4
- Molecular weight
- 358.47
Names & synonyms
(3S,5R,9R,10S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dioneSCHEMBL28343570DTXSID40930675H628973,17-Dihydroxy-4,4,8,10,14-pentamethylgona-11,13(17)-diene-15,16-dione(8xi,14xi)-3beta,17-Dihydroxy-4,4,8,10,14-pentamethyl-5alpha-gona-11,13(17)-diene-15,16-dione(3beta,5alpha)-3,17-Dihydroxy-4,4,8,14-tetramethyl-18-norandrosta-11,13(17)-diene-15,16-dionepalbinone18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α)-
Database identifiers
- CAS
139954-00-0- PubChem CID
- 192302
- DTXSID
DTXSID40930675
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 775
Physicochemical properties
- Boiling point
- 508.5 · 508.5±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 6.72 · 6.72±0.70(Predicted)
- color
- Orange
- FDA UNII
- 6 F287LT · TXG6F287LT
Chemistry & industry
Applications
UsesPalbinone is a terpenoid isolated from the roots of Paeonia albiflora Pallas, potently inhibits 3α-hydroxysteroid dehydrogenase (3α-HSD), with an IC50 of 46 nM. Anti-inflammatory activity[1].
Suppliers28 total
成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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