Neoverataline A
AlkaPlorer ID: AK052442
Synonym: '', 'Neoverataline A'
IUPAC Name: 3-[(1R,3S,4S,8S,11S,12S,13R,14R,15S,16S,17S,20S,23R)-12,14,15,16-tetrahydroxy-8,12,23-trimethyl-21-oxo-22-oxa-6-azahexacyclo[18.2.1.01,17.03,16.04,13.06,11]tricosan-23-yl]propanoic acid
Structure
SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)[C@H](O)[C@]3(O)[C@H]1C[C@@]14OC(=O)[C@@H](CC[C@@H]31)[C@@]4(C)CCC(=O)O)[C@]2(C)O
InChI: InChI=1S/C27H41NO8/c1-13-4-7-18-25(3,34)20-14(12-28(18)11-13)16-10-26-17(27(16,35)22(32)21(20)31)6-5-15(23(33)36-26)24(26,2)9-8-19(29)30/h13-18,20-22,31-32,34-35H,4-12H2,1-3H3,(H,29,30)/t13-,14-,15+,16-,17+,18-,20+,21+,22-,24+,25+,26+,27-/m0/s1
InChIKey: RXFHTFYCXVTJMP-XQSSZBRJSA-N
Reference
Neoverataline A and B, two antifungal alkaloids with a novel carbon skeleton from Veratrum taliense
PubChem CID: 163046281
LOTUS: LTS0188384
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum taliense | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 507.6240000000004
TPSA？: 147.76000000000002
MolLogP？: 0.7632000000000001
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|