Isotabernamine
AlkaPlorer ID: AK006007
Synonym: None
IUPAC Name: methyl (15Z)-12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl)-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C\C)C)C(=O)OC
InChI: InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-27(13-14-44(20-22)39(23)32)30-17-25(11-12-34(30)42-37)29-18-28-24(6-2)21-43(3)35(36(28)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(29)31/h6-12,17,22-23,28-29,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6+
InChIKey: HAJVEDJHALQANU-GFXGDVFHSA-N
Reference
Three New Cytotoxic Monoterpenoid Bisindole Alkaloids from Tabernaemontana bufalina
PubChem CID: 6442983
CAS: 91794-13-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana bufalina | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 616.8500000000001
TPSA？: 64.36
MolLogP？: 7.153100000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|