Basic information
- CAS
33983-39-0- Standard SMILES
COc1ccc2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@H]21- InChIKey
NSRJSISNDPOJOP-CZUORRHYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Overview
(+)-medicarpin is the (+)-enantiomer of medicarpin. It is an enantiomer of a (-)-medicarpin.
Names & identifiers
- Preferred name
- (+)-Medicarpin
- IUPAC
- (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
- English name
- MEDICARPIN
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
(+)-Medicarpin(6As,11As)-Medicarpin(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol3-Hydroxy-9-methoxypterocarpanCHEBI:6714(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-3-olRefChem:93461733983-39-0(+/-)-Medicarpin33983-40-3(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol(+)-Medicrpin
Show more names
C01729MEDICARPIN(+)-Demethylhomopterocarpin9-methoxy-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromen-3-ol(6aS,11aS)-6a,11a-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol[6aS,(+)]-6aβ,11aβ-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR,11aR)-rel-
(6aS,11aS)-Demethylhomopterocarpindemethylhomopterocarpan(6aS, 11aS)-Medicarpin3-hydro-9-methoxypterocarpanCHEMBL413297orb13087933-hydroxy-9-methoxy pterocarpanSCHEMBL19999732
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 418.8 · 418.8±45.0 °C
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.20(Predicted)
- FDA UNII
- 6 TX086I6IG · 6TX086I6IG
Chemistry & industry
Applications
UsesMedicarpin can be used to inhibit IL-8 release via interactions with toll-like receptor 4 and lipopolysaccharide. It can also be used to treat COVID-19.
Suppliers26 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
成都瑞芬思德丹生物科技有限公司2355253622; 18981954830 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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