18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
Basic information
- CAS
687641-10-7- Standard SMILES
COc1ccc2c3c([nH]c2c1)C1CC2C(CC(O)C(OC)C2C(=O)O)CN1CC3- InChIKey
JVHNBFFHWQQPLL-UHFFFAOYSA-N- Molecular formula
- C22H28N2O5
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.199822
Overview
18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid is an alkaloid.
Names & identifiers
- Preferred name
- 18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
- IUPAC
- 17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
Names & synonyms
18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acidMLS000737091SMR000528366NSC8146317-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acidcid_419781CHEMBL1570525SCHEMBL14286189SCHEMBL30402427BDBM52830DTXSID70871562CHEBI:181717
Show more names
HMS2268I03hydroxy(dimethoxy)[?]carboxylic acid6,18-dimethoxy-17-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
Database identifiers
- CAS
687641-10-7- PubChem CID
- 419781
- DTXSID
DTXSID70871562- ChEMBL
CHEMBL1570525- ChEBI
CHEBI:181717
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…