19R-Hydroxypachysiphine
AlkaPlorer ID: AK054722
Synonym: '', '19R-epimisiline', 'Cathovalinine'
IUPAC Name: methyl (1R,12S,13R,15S,20R)-12-[(1S)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@H]23
InChI: InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15-,17-,19+,20-,21-/m0/s1
InChIKey: QVNXPWJNUKKMHP-HONICDLQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 74.33
MolLogP？: 1.4031999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|