Accedine
AlkaPlorer ID: AK036202
Synonym: ''
IUPAC Name: (1R,12S,13R,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-ol
Structure
SMILES: C/C=C1/CN2[C@H]3CC4=C(N(C)C5=CC=CC=C45)[C@]2(O)C[C@@H]1[C@H]3CO
InChI: InChI=1S/C20H24N2O2/c1-3-12-10-22-18-8-14-13-6-4-5-7-17(13)21(2)19(14)20(22,24)9-15(12)16(18)11-23/h3-7,15-16,18,23-24H,8-11H2,1-2H3/b12-3-/t15-,16+,18-,20+/m0/s1
InChIKey: JQILJROVLDSOTD-WCZLNECCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana solanifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 324.4240000000001
TPSA？: 48.63
MolLogP？: 2.1384000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|