methyl (15E)-12-{17-ethyl-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraen-6-yl}-15-ethylidene-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK371058
Synonym: None
IUPAC Name: methyl (1S,14R,15E,18S)-12-[(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-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(C3=CC=C4C5=C(NC4=C3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C39H46N4O2/c1-4-22-14-21-15-31-36-27(12-13-43(20-21)38(22)31)26-11-10-24(16-33(26)42-36)29-17-28-23(5-2)19-40-34(35(28)39(44)45-3)18-30-25-8-6-7-9-32(25)41-37(29)30/h5-11,16,21-22,28-29,31,34-35,38,40-42H,4,12-15,17-20H2,1-3H3/b23-5-/t21-,22+,28+,29?,31+,34+,35+,38+/m1/s1
InChIKey: DUPGWICOBMEVNT-SRIXDNFMSA-N
Reference
Alkaloids from stem bark and leaves of Peschiera buchtieni
PubChem CID: 102147057
LOTUS: LTS0194265
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 602.8230000000003
TPSA？: 73.15
MolLogP？: 6.810900000000007
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|