16,17-Dihydro-17beta-hydroxymitraphylline
AlkaPlorer ID: AK053567
Synonym: '', 'Isomitraphyllinol'
IUPAC Name: methyl (1S,3R,4R,4aS,5aS,6R,10aR)-3-hydroxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Structure
SMILES: COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@]34C(O)=NC3=CC=CC=C34)C[C@@H]2[C@H](C)O[C@H]1O
InChI: InChI=1S/C21H26N2O5/c1-11-13-10-23-8-7-21(14-5-3-4-6-15(14)22-20(21)26)16(23)9-12(13)17(18(24)27-2)19(25)28-11/h3-6,11-13,16-17,19,25H,7-10H2,1-2H3,(H,22,26)/t11-,12-,13+,16-,17-,19+,21+/m0/s1
InChIKey: BZEARLNMWSCOOH-FXOYPNAMSA-N
Reference
Heteroyohimbinoid type oxindole alkaloids from Mitragyna parvifolia
PubChem CID: 162997621
LOTUS: LTS0118746
SuperNatural Ⅲ: SN0039454-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitragyna parvifolia | Mitragyna | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 386.4480000000001
TPSA？: 91.59
MolLogP？: 1.7626999999999995
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|