Basic information
- CAS
73981-34-7- Standard SMILES
C=C1C(=O)C23[C@H](O)C[C@@H]4C(C)(C)CC[C@H](O)[C@@]4(CO)[C@@H]2CCC1[C@@H]3O- InChIKey
WHSUEVLJUHPROF-NGMGQJSWSA-N- Molecular formula
- C20H30O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.20932405
Overview
Kamebakaurin has been reported in Isodon henryi and Isodon rubescens with data available.
Names & identifiers
- Preferred name
- 1,7,14,20-Tetrahydroxykaur-16-en-15-one
- IUPAC
- (2R,4R,8S,9R,10S,16S)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
- English name
- kamebakaurin
- Molecular formula
- C20H30O5
- Molecular weight
- 350.45
Names & synonyms
1,7,14,20-Tetrahydroxykaur-16-en-15-oneDTXSID00995225(2R,4R,8S,9R,10S,16S)-2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-oneF82173(14S)-1alpha,7alpha,14,20-Tetrahydroxy-5beta,9beta,10alpha-kaur-16-en-15-oneKamebakaurinekamebakaurin AKAMEBAKAURINEKAMEBAKAURINKaur-16-en-15-one, 1,7,14,20-tetrahydroxy-, (1α,7α,14R)-
Database identifiers
- CAS
73981-34-7- PubChem CID
- 3035697
- DTXSID
DTXSID00995225
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Melting point
- 232 · 232-234℃
- Boiling point
- 563.485 · 563.485±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 13.01 · 13.010±0.70(predicted)
- color
- White to off-white
Chemistry & industry
Applications
UsesKamebakaurin is a natural compound isolated from Rabdosia excisa. Kamebakaurin is a potent inhibitor of NF-κB activation by directly targeting DNA-binding activity of p50[1].
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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