19-epi-Isovoacristine
AlkaPlorer ID: AK036977
Synonym: '', 'Isovoacristine'
IUPAC Name: methyl (1S,15R,17S,18S)-17-[(1R)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCC1=C2NC2=CC(OC)=CC=C12)C3
InChI: InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3/t12-,13-,17-,20+,22-/m1/s1
InChIKey: XGWIRMWTCWJZPG-YVSMJLQZSA-N
Reference
Five New Iboga Alkaloids from <i>Tabernaemontana corymbosa</i>
PubChem CID: 10362598
LOTUS: LTS0182001
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000001
TPSA？: 74.79
MolLogP？: 2.2345999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|