18-Demethylpubescenine
AlkaPlorer ID: AK133053
Synonym: '18-O-Demethylpubescenine', '18-Demethylpubescenine'
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-9,16,18-trihydroxy-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: CCN1C[C@]2(CO)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/C25H39NO8/c1-5-26-10-22(11-27)7-6-16(29)24-14-8-13-15(32-3)9-23(33-4,17(14)18(13)34-12(2)28)25(31,21(24)26)20(30)19(22)24/h13-21,27,29-31H,5-11H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1
InChIKey: OSSCNSALANKATQ-JOPURWDVSA-N
Reference
Three New Norditerpenoid Alkaloids from Consolida orientalis
PubChem CID: 102271635
LOTUS: LTS0027942
SuperNatural Ⅲ: SN0274282-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Consolida orientalis | Consolida | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.5860000000002
TPSA？: 128.92000000000002
MolLogP？: -0.4663999999999968
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|