Neoverataline B
AlkaPlorer ID: AK099842
Synonym: '', 'Neoverataline B'
IUPAC Name: 3-[(1R,3S,4S,8S,11S,12S,13R,14R,15S,16S,17S,18R,20S,23S)-12,14,15,16,18-pentahydroxy-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](C[C@@H](O)[C@@H]31)[C@]4(C)CCC(=O)O)[C@]2(C)O
InChI: InChI=1S/C27H41NO9/c1-12-4-5-17-25(3,35)19-13(11-28(17)10-12)15-9-26-21(27(15,36)22(33)20(19)32)16(29)8-14(23(34)37-26)24(26,2)7-6-18(30)31/h12-17,19-22,29,32-33,35-36H,4-11H2,1-3H3,(H,30,31)/t12-,13-,14+,15-,16+,17-,19+,20+,21+,22-,24-,25+,26+,27-/m0/s1
InChIKey: KCHLTEPRRNOEDH-LYZAJBHISA-N
Reference
Neoverataline A and B, two antifungal alkaloids with a novel carbon skeleton from Veratrum taliense
PubChem CID: 10896656
LOTUS: LTS0266872
SuperNatural Ⅲ: SN0181733-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum taliense | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.6230000000004
TPSA？: 167.99
MolLogP？: -0.2659999999999984
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|