Basic information
- CAS
109232-76-0- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3cc(O)cc4oc(-c5ccc(O)cc5)cc(=O)c34)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
LRFDUPNLCDXZOE-ZLDQKHMLSA-N- Molecular formula
- C27H30O14
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 578.16355563
Overview
Camellianin B has been reported in Cephalotaxus harringtonia and Cephalotaxus sinensis with data available.
Names & identifiers
- Preferred name
- Camellianin B
- IUPAC
- 5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
- English name
- camellianin B
- Molecular formula
- C27H30O14
- Molecular weight
- 578.52
Names & synonyms
Camellianin B109232-76-05-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneDTXSID001488505-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:123104DTXCID9071341orb1691975HY-N9314AKOS032945742DA-62020CS-0159365
Show more names
4H-1-Benzopyran-4-one, 5-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-
E88898T384814H-1-Benzopyran-4-one, 5-((4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)-7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Database identifiers
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 939
Physicochemical properties
- Boiling point
- 937.4 · 937.4±65.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.40(Predicted)
- InChIKey
- LRFDUPNLCDXZOE-QLIWWBMONA-N
Chemistry & industry
Applications
UsesCamellianin B, a flavonoid compound, is a Camellianin A metabolite. Camellianin B has antioxidant and angiotensin converting enzyme (ACE) inhibitory activities[1][2].
Suppliers19 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
陕西萃程生物医药科技有限公司13186333400 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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