Volkensine
AlkaPlorer ID: AK049443
Synonym: ''
IUPAC Name: methyl (11R,14E,17S,19S)-14-ethylidene-5,6-dimethoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Structure
SMILES: C/C=C1/CN2[C@H]3CC1[C@H](C(=O)OC)C14C[C@H]2OC31NC1=CC(OC)=C(OC)C=C14
InChI: InChI=1S/C22H26N2O5/c1-5-11-10-24-17-6-12(11)19(20(25)28-4)21-9-18(24)29-22(17,21)23-14-8-16(27-3)15(26-2)7-13(14)21/h5,7-8,12,17-19,23H,6,9-10H2,1-4H3/b11-5-/t12?,17-,18+,19+,21?,22?/m0/s1
InChIKey: CRKDVBVOAIRDNW-SGUDRYLVSA-N
Reference
Alkaloids from Alstonia angustifolia
PubChem CID: 6437858
CAS: 74991-69-8
LOTUS: LTS0238319
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia muelleriana | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000001
TPSA？: 69.26
MolLogP？: 2.263
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|