18-Demethoxypubescenine
AlkaPlorer ID: AK144072
Synonym: '', '18-demethoxypubescenine'
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18R)-11-ethyl-9,16,18-trihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@](O)([C@H](O)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H39NO7/c1-6-26-11-22(3)8-7-16(28)24-14-9-13-15(31-4)10-23(32-5,17(14)18(13)33-12(2)27)25(30,21(24)26)20(29)19(22)24/h13-21,28-30H,6-11H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1
InChIKey: KXSCHOKUZKMFLX-JOPURWDVSA-N
Reference
Three New Norditerpenoid Alkaloids from Consolida orientalis
PubChem CID: 101346110
LOTUS: LTS0075340
SuperNatural Ⅲ: SN0198242-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Consolida orientalis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5870000000002
TPSA？: 108.69
MolLogP？: 0.5612000000000017
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|