methyl (15E)-12-[3-(2-aminoethyl)-1H-indol-6-yl]-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK594083
Synonym: None
IUPAC Name: methyl (1S,12R,14S,15E)-12-[3-(2-aminoethyl)-1H-indol-6-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: C/C=C1/CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=CC=C4C(CCN)=CNC4=C3)C[C@H]1C2C(=O)OC
InChI: InChI=1S/C31H36N4O2/c1-4-18-17-35(2)28-15-25-22-7-5-6-8-26(22)34-30(25)24(14-23(18)29(28)31(36)37-3)19-9-10-21-20(11-12-32)16-33-27(21)13-19/h4-10,13,16,23-24,28-29,33-34H,11-12,14-15,17,32H2,1-3H3/b18-4-/t23-,24-,28+,29?/m1/s1
InChIKey: ZOBHQOIVLKIBTQ-SBSBCDAMSA-N
Reference
Ceridimine: a novel type of bisindole monoterpene alkaloid
PubChem CID: 134716651
LOTUS: LTS0026955
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 496.6550000000003
TPSA？: 87.14
MolLogP？: 4.894200000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|