Basic information
- CAS
11014-02-1- Standard SMILES
CN1CCc2cc3c(cc2[C@H]1[C@H]1O[C@@H](O)c2c1ccc1c2OCO1)OCO3- InChIKey
YMHFBUOKLSWOQF-CMKODMSKSA-N- Molecular formula
- C20H19NO6
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12123733
Overview
Humosine A has been reported in Corydalis decumbens, Corydalis ochotensis, and Corydalis with data available.
Names & identifiers
- Preferred name
- Humosine A
- IUPAC
- (6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol
Names & synonyms
Humosine A(+)-Humosine AEpi-alpha-decumbensine11014-02-1(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-8-ol(6S,8R)-6-((5S)-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,8-dihydrofuro(3,4-g)(1,3)benzodioxol-8-olRefChem:146902Corytensine(+)-CorytensineCHEMBL4162070SCHEMBL31065860BDBM50286640
Database identifiers
- CAS
11014-02-1- PubChem CID
- 189686
- ChEMBL
CHEMBL4162070- Nikkaji
- J431.727K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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