Accedinine
AlkaPlorer ID: AK474159
Synonym: None
IUPAC Name: methyl (1R,12S,14S,15E,18S)-15-ethylidene-12-[(1R,12R,13S,14S,15E)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-yl]-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/CN2[C@@H]3CC4=C(N(C)C5=CC=C([C@@H]6C[C@@H]7/C(=C\C)CN(C)[C@H](CC8=C6NC6=CC=CC=C86)[C@H]7C(=O)OC)C=C45)[C@]2(O)C[C@H]1[C@@H]3CO
InChI: InChI=1S/C41H48N4O4/c1-6-22-19-43(3)36-16-29-25-10-8-9-11-33(25)42-38(29)27(15-26(22)37(36)40(47)49-5)24-12-13-34-28(14-24)30-17-35-32(21-46)31-18-41(48,39(30)44(34)4)45(35)20-23(31)7-2/h6-14,26-27,31-32,35-37,42,46,48H,15-21H2,1-5H3/b22-6-,23-7-/t26-,27+,31-,32+,35-,36-,37+,41-/m1/s1
InChIKey: NZQQNPWOZBAVEC-CJTITFDKSA-N
Reference
Alkaloide in Tabernaemontana‐Arten, VII. Über einige Bisindolalkaloide aus Tabernaemontana accedens
PubChem CID: 163185475
LOTUS: LTS0113183
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana solanifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 660.8590000000002
TPSA？: 93.96
MolLogP？: 5.363500000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|