vobasine
AlkaPlorer ID: AK020089
Synonym: '', 'Vobasine', '3-oxovobasan-17-oic acid, methyl ester'
IUPAC Name: methyl (1R,14S,15E,18S)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C1/CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)C(=O)C[C@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19+/m1/s1
InChIKey: TYPMTMPLTVSOBU-YBULWGKISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hunteria zeylanica | Hunteria | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.43400000000014
TPSA？: 62.400000000000006
MolLogP？: 2.962500000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|