methyl (15E)-12-[3-(2-aminoethyl)-1H-indol-6-yl]-15-ethylidene-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK571392
Synonym: None
IUPAC Name: methyl (1S,12S,14R,15Z,18S)-12-[3-(2-aminoethyl)-1H-indol-6-yl]-15-ethylidene-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@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=CC=C4C(CCN)=CNC4=C3)C[C@@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C30H34N4O2/c1-3-17-15-33-27-14-24-21-6-4-5-7-25(21)34-29(24)23(13-22(17)28(27)30(35)36-2)18-8-9-20-19(10-11-31)16-32-26(20)12-18/h3-9,12,16,22-23,27-28,32-34H,10-11,13-15,31H2,1-2H3/b17-3+/t22-,23-,27-,28-/m0/s1
InChIKey: XMQXQSUADSKRFS-ZEESUGRTSA-N
Reference
Alkaloids from stem bark and leaves of Peschiera buchtieni
PubChem CID: 101927635
LOTUS: LTS0060822
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 482.6280000000003
TPSA？: 95.93
MolLogP？: 4.552000000000003
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|