Vincosamide; 3-Epimer, 2'-Ac
AlkaPlorer ID: AK238079
Synonym: 2'-O-Acetylstrictosamide
IUPAC Name: [2-[(19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2OC(C)=O)OC=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)C3CC21
InChI: InChI=1S/C28H32N2O9/c1-3-14-17-10-20-22-16(15-6-4-5-7-19(15)29-22)8-9-30(20)26(35)18(17)12-36-27(14)39-28-25(37-13(2)32)24(34)23(33)21(11-31)38-28/h3-7,12,14,17,20-21,23-25,27-29,31,33-34H,1,8-11H2,2H3
InChIKey: TXCIKXPZPJSBMS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mostuea brunonis | Mostuea | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 540.5690000000003
TPSA？: 150.78000000000003
MolLogP？: 1.0433000000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|