jerantinine G
AlkaPlorer ID: AK040016
Synonym: '', 'Jerantinine G'
IUPAC Name: methyl (1R,12S,13R,15S,20R)-12-ethyl-5-methoxy-4-oxo-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,5,7,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@]12CC(C(=O)OC)=C3N=C4C=C(OC)C(=O)C=C4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42
InChI: InChI=1S/C22H24N2O5/c1-4-21-9-11(19(26)28-3)17-22(5-6-24(20(21)22)10-16-18(21)29-16)12-7-14(25)15(27-2)8-13(12)23-17/h7-8,16,18,20H,4-6,9-10H2,1-3H3/t16-,18-,20-,21+,22-/m0/s1
InChIKey: YPQUBDSXDKBCCH-DIMUUIPOSA-N
Reference
Jerantinines A−G, Cytotoxic <i>Aspidosperma</i> Alkaloids from <i>Tabernaemontana corymbosa</i>
PubChem CID: 102412090
LOTUS: LTS0013956
SuperNatural Ⅲ: SN0456902-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.44300000000015
TPSA？: 80.73
MolLogP？: 1.5493
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|