epivittatine Trifluoroacetic acid
AlkaPlorer ID: AK000403
Synonym: 'Vittatine', '', 'Crinan-3-ol, 1,2-didehydro-, (3beta,5alpha,13beta,19alpha)- Trifluoroacetic acid', 'Crinidine', 'Crinine', 'Epivittatine', 'vittatine Trifluoroacetic acid'
IUPAC Name: (1S,13R,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Structure
SMILES: O[C@@H]1C=C[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1
InChI: InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15-,16-/m1/s1
InChIKey: RPAORVSEYNOMBR-HFBAOOFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum macowanii | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.31600000000003
TPSA？: 41.93000000000001
MolLogP？: 1.5618
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|