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Basic information
- CAS
51419-48-8- Standard SMILES
COc1cc(C2Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3OC2CO)ccc1O- InChIKey
NMICSFNNFDNGEL-UHFFFAOYSA-N- Molecular formula
- C25H20O9
- Average molar mass
- 464.426 g/mol
- Monoisotopic mass
- 464.11073222
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one
- IUPAC
- 5,7-Dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one
- English name
- hydnocarpin
- Molecular formula
- C25H20O9
- Molecular weight
- 464.42
Names & synonyms
(Rac)-Hydnocarpin(-)-Hydnocarpinhydnocarpin5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-onerel-2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-, rel-
Database identifiers
- CAS
51419-48-8- PubChem CID
- 5489114
- DTXSID
DTXSID50965736
Properties
Physicochemical properties
- Boiling point
- 740.9 · 740.9±60.0 °C(Predicted)
- Density
- 1.496 · 1.496±0.06 g/cm3 (20 ºC 760 Torr)
- pka
- 6.49 · 6.49±0.40(Predicted)
- form
- Solid
- color
- Off-white to yellow
- InChIKey
- NMICSFNNFDNGEL-NDKUIGCSNA-N
- SMILES
- C1(C2=CC=C3O[C@H](C4=CC=C(O)C(OC)=C4)[C@@H](CO)OC3=C2)OC2=CC(O)=CC(O)=C2C(=O)C=1 |&1:6,16,r|
- LogP
- 3.529 · 3.529 (est)
Chemistry & industry
Applications
Uses(Rac)-Hydnocarpin is a flavonoid isolated from Hydnocarpus anthelminthica, and exhibits moderate cytotoxic on cancer cells[1].
Upstream & downstream products
Upstream raw materials
Suppliers50 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]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Related reactions
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Compound notes
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