Haplocidine
AlkaPlorer ID: AK083837
Synonym: ''
IUPAC Name: 1-[(1R,4R,12R,16S)-7-hydroxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone
Structure
SMILES: CC(=O)N1C2=C(O)C=CC=C2[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13
InChI: InChI=1S/C21H26N2O3/c1-14(24)23-17-6-8-19-7-3-11-22-12-9-20(17,21(19,22)26-13-10-19)15-4-2-5-16(25)18(15)23/h2,4-5,17,25H,3,6-13H2,1H3/t17-,19-,20-,21+/m1/s1
InChIKey: OZHFIQIIDYNXAD-WLRLJWMZSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
PubChem CID: 15559624
LOTUS: LTS0080961
SuperNatural Ⅲ: SN0279142-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 53.010000000000005
MolLogP？: 2.761400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|