Conodurine
AlkaPlorer ID: AK359382
Synonym: None
IUPAC Name: methyl (1S,12R,14R,15Z,18R)-15-ethylidene-12-[(1R,15R,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl]-17-methyl-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@@H](C3=C(OC)C=CC4=C3NC3=C4CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@H]3C5)C[C@@H]1[C@H]2C(=O)OC
InChI: InChI=1S/C41H50N4O3/c1-6-23-16-22-17-31-37-27(14-15-45(20-22)40(23)31)26-12-13-34(47-4)36(39(26)43-37)30-18-28-24(7-2)21-44(3)33(35(28)41(46)48-5)19-29-25-10-8-9-11-32(25)42-38(29)30/h7-13,22-23,28,30-31,33,35,40,42-43H,6,14-21H2,1-5H3/b24-7+/t22-,23+,28+,30-,31+,33+,35-,40+/m1/s1
InChIKey: CTUPMYJRNOILMK-GPJCKVQFSA-N
Reference
Catharinensine, an oxindole alkaloid from Peschiera catharinensis
PubChem CID: 163186246
LOTUS: LTS0182662
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana catharinensis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 646.8760000000003
TPSA？: 73.59
MolLogP？: 7.161700000000008
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|