Protoveratrine A
AlkaPlorer ID: AK016068
Synonym: '', 'Protoveratrine A'
IUPAC Name: [(1S,2S,6S,9S,10S,11R,12S,13S,14S,15R,16S,17R,18R,19S,22R,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
Structure
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@@](C)(O)CC
InChI: InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKey: HYTGGNIMZXFORS-QOHCVCCNSA-N
Reference
Alkaloids ofVeratrum nigrum. II
PubChem CID: 162916728
LOTUS: LTS0081397
SuperNatural Ⅲ: SN0139107-12
NPASS: NPC297712
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope ternata | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tanacetum parthenium | Tanacetum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hohenbuehelia grisea | Hohenbuehelia | Pleurotaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 793.948
TPSA？: 218.82
MolLogP？: 1.6072000000000035
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|