19-Hydroxy-19,20-Dihydrovincamajine
AlkaPlorer ID: AK104059
Synonym: ''
IUPAC Name: methyl (1R,9S,10S,12S,13R,16S,17R,18R)-18-hydroxy-13-[(1S)-1-hydroxyethyl]-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Structure
SMILES: COC(=O)[C@@]12[C@@H]3C[C@]4(C5=CC=CC=C5N(C)[C@@H]4[C@@H]4C[C@H]1[C@@H]([C@H](C)O)CN34)[C@H]2O
InChI: InChI=1S/C22H28N2O4/c1-11(25)12-10-24-16-8-14(12)22(20(27)28-3)17(24)9-21(19(22)26)13-6-4-5-7-15(13)23(2)18(16)21/h4-7,11-12,14,16-19,25-26H,8-10H2,1-3H3/t11-,12+,14-,16-,17-,18+,19+,21+,22+/m0/s1
InChIKey: OEGZONSWPCBTKS-YNBUEYQGSA-N
Reference
Alkaloids of Alstonia macrophylla
PubChem CID: 163009474
LOTUS: LTS0112127
SuperNatural Ⅲ: SN0263091-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000001
TPSA？: 73.24
MolLogP？: 0.7500999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|