Conodurinine
AlkaPlorer ID: AK004374
Synonym: None
IUPAC Name: methyl (1S,15R,17S,18S)-5-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1S)-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: C/C=C\1/CN[C@H]2CC3=C([C@H](C[C@@H]1[C@@H]2C(=O)OC)C4=C(C=CC5=C4NC6=C5CCN7C[C@@H]8C[C@@H]([C@H]7[C@]6(C8)C(=O)OC)[C@H](C)O)OC)NC9=CC=CC=C39
InChI: InChI=1S/C42H50N4O6/c1-6-23-19-43-32-17-29-24-9-7-8-10-31(24)44-36(29)30(16-28(23)34(32)40(48)51-4)35-33(50-3)12-11-25-26-13-14-46-20-22-15-27(21(2)47)39(46)42(18-22,41(49)52-5)38(26)45-37(25)35/h6-12,21-22,27-28,30,32,34,39,43-45,47H,13-20H2,1-5H3/b23-6-/t21-,22+,27+,28-,30+,32-,34-,39-,42+/m0/s1
InChIKey: KUKSIEBJIJDXNW-SGDKAWQFSA-N
Reference
Conodurine, conoduramine, and ervahanine derivatives from Tabernaemontana corymbosa
PubChem CID: 156028110
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 706.8840000000004
TPSA？: 128.91000000000003
MolLogP？: 5.117500000000006
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|