Veramitaline
AlkaPlorer ID: AK039727
Synonym: '', 'Veramivirine'
IUPAC Name: (3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2S,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Structure
SMILES: C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]23C)NC1
InChI: InChI=1S/C27H45NO2/c1-16-5-10-24(28-15-16)17(2)21-8-9-22-20-7-6-18-13-19(29)11-12-26(18,3)23(20)14-25(30)27(21,22)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19-,20-,21+,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey: XWTNAYWYYCWVTF-RLBNDFFRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum viride | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.6620000000002
TPSA？: 52.49
MolLogP？: 4.921300000000006
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|