Vincosamide; 3'-O-(3,4-Dihydroxycinnamoyl)
AlkaPlorer ID: AK199767
Synonym: 3'-O-Caffeoylvincosamide, Rubescine
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]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C2O)OC=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)C3CC21
InChI: InChI=1S/C35H36N2O11/c1-2-18-21-14-24-29-20(19-5-3-4-6-23(19)36-29)11-12-37(24)33(44)22(21)16-45-34(18)48-35-31(43)32(30(42)27(15-38)46-35)47-28(41)10-8-17-7-9-25(39)26(40)13-17/h2-10,13,16,18,21,24,27,30-32,34-36,38-40,42-43H,1,11-12,14-15H2
InChIKey: QBRCFTQRAWIKKQ-UHFFFAOYSA-N
Reference
Adina Alkaloids : The structure of rubescine
PubChem CID: 162933409
LOTUS: LTS0153098
COCONUT: CNP0203420
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Adina | Hesperiidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 660.6760000000002
TPSA？: 191.24
MolLogP？: 2.147999999999999
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|