Pachysiphine
AlkaPlorer ID: AK003548
Synonym: '(-)-Pachysiphine', '(-)-Lochnericine', 'Lochnericine'
IUPAC Name: methyl (1R,12S,13S,15R,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@]12CC(C(=O)OC)=C3NC4=CC=CC=C4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24
InChI: InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19+,20-,21+/m1/s1
InChIKey: AUVZFRDLRJQTQF-VYLCYAPGSA-N
Reference
Biologically active indole and bisindole alkaloids from Tabernaemontana divaricata
PubChem CID: 21586675
LOTUS: LTS0026277
SuperNatural Ⅲ: SN0016017-06
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.4340000000001
TPSA？: 54.1
MolLogP？: 2.4324000000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|