Pandoline
AlkaPlorer ID: AK049525
Synonym: '(+)-20-Epipandoline', '(+)-7alpha-Hydroxy pseudovincadifformine', '7-Epipandoline', '20-Epipandoline', '(+)-Pandoline', 'Epipandoline', '20-epi-Pandoline'
IUPAC Name: methyl (1S,12S,14R,19R)-14-ethyl-14-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@]1(O)C[C@@H]2CC(C(=O)OC)=C3NC4=CC=CC=C4[C@]34CCN(C1)[C@H]24
InChI: InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3/t13-,18+,20+,21+/m0/s1
InChIKey: CPNXQIOMUYAVKQ-ODHPHVRJSA-N
Reference
Alcaloïdes du Pandaca calcarea et Pandaca debrayi
PubChem CID: 21589059
LOTUS: LTS0078327
SuperNatural Ⅲ: SN0052177-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana citrifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 61.8
MolLogP？: 2.4160000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|