Basic information
- CAS
52250-35-8- Standard SMILES
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC- InChIKey
NQRBAPDEZYMKFL-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Overview
Isomucronulatol is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- Isomucronulatol
- IUPAC
- 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
- English name
- ISOMUCRONULATOL
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
Isomucronulatol52250-35-87,2'-Dihydroxy-3',4'-dimethoxyisoflavanAstraisoflavan3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol2',7-dihydroxy-3',4'-dimethoxyisoflavanDTXSID30345153RefChem:149559DTXCID8029622764474-51-73-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-
Show more names
2'-Dihydroxy-3'DL-Isomucronulatol4'-dimethoxyisoflavanIsomucronulatol, 10 mM in DMSO7,2-Dihydroxy-3,4-Dimethoxyisoflava(+/-)-2',7-Dihydroxy-3',4'-dimethoxyisoflavan(3R)-3β-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-ol
3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olMFCD27968612(+/-)-IsomucronulatolIsomucronulatol, (+/-)-orb1220274orb1303652U5B5K2HD83SCHEMBL29030120
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavans [PK1208]
Melting Point152 - 153 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 426.82 · 426.820±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.279 · 1.279
- pka
- 9.503 · 9.503±0.45(predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesIsomucronulatol is Codonopsis pilosula and Astragalus membranaceus compound.
Suppliers86 total
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]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…