Aspidophylline A
AlkaPlorer ID: AK064920
Synonym: '(-)-Aspidophylline A', 'aspidophylline A'
IUPAC Name: methyl (1R,9R,10S,13E,14R,15R)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Structure
SMILES: C/C=C1/CN(C=O)[C@H]2C[C@@H]1[C@@H](C(=O)OC)[C@@]13CCO[C@@]21NC1=CC=CC=C13
InChI: InChI=1S/C21H24N2O4/c1-3-13-11-23(12-24)17-10-14(13)18(19(25)26-2)20-8-9-27-21(17,20)22-16-7-5-4-6-15(16)20/h3-7,12,14,17-18,22H,8-11H2,1-2H3/b13-3-/t14-,17-,18-,20-,21-/m0/s1
InChIKey: NKMFTVSMLXLPDB-ZVHZMJRBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia singapurensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 67.87
MolLogP？: 2.0625
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|