Methyl 4-(hexopyranosyloxy)-5-hydroxy-4,4a,5,6,8,9,14,14b,15,15a-decahydropyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
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Basic information
- CAS
54483-84-0- Standard SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](O)CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12- InChIKey
HNZGKRAKJFZQAY-SBAWYOAKSA-N- Molecular formula
- C27H34N2O10
- Average molar mass
- 546.573 g/mol
- Monoisotopic mass
- 546.22134529
Names & identifiers
- Preferred name
- Methyl 4-(hexopyranosyloxy)-5-hydroxy-4,4a,5,6,8,9,14,14b,15,15a-decahydropyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
- IUPAC
- Methyl (4S,4aS,5S,14bS,15aS)-4-(beta-D-glucopyranosyloxy)-5-hydroxy-4,4a,5,6,8,9,14,14b,15,15a-decahydropyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
- English name
- 3-dihydrocadambine
- Molecular formula
- C27H34N2O10
- Molecular weight
- 546.57
Names & synonyms
3-dihydrocadambine3α-dihydrocadambine3alpha-dihydrocadambinePyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(β-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-
Database identifiers
- CAS
54483-84-0- PubChem CID
- 162138
- DTXSID
DTXSID60969664- ChEMBL
CHEMBL4467154- Nikkaji
- J716.640K
Properties
Physicochemical properties
- Boiling point
- 802.9 · 802.9±65.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.70(Predicted)
Chemistry & industry
Applications
Uses3α-Dihydrocadambine is a natural product isolated from the heartwoods of Anthocephalus cadamba.3α-Dihydrocadambine exhibits dose-dependent hypotensive and anti-hypertensive effects in anesthetized normotensive rats and in conscious spontaneously hypertensive rats[1][2].
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Compound notes
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