rankiniridine
AlkaPlorer ID: AK170319
Synonym: None
IUPAC Name: (1R,2S,4S,7Z,8R,9S)-5-[(Z)-[(3aS,4S,5S,6S,6aR)-4,6-dihydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-3a,5,6,6a-tetrahydrocyclopenta[b]furan-3-ylidene]methyl]-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Structure
SMILES: C/C=C1\CN(/C=C2\C(=O)O[C@H]3[C@@H](O)[C@H](C)[C@@](O)(CO)[C@@H]23)[C@H]2C[C@@]3(C(=O)N(OC)C4=CC=CC=C43)[C@H]3C[C@@H]1[C@@H]2CO3
InChI: InChI=1S/C30H36N2O8/c1-4-16-11-31(12-18-24-26(40-27(18)35)25(34)15(2)30(24,37)14-33)22-10-29(23-9-17(16)19(22)13-39-23)20-7-5-6-8-21(20)32(38-3)28(29)36/h4-8,12,15,17,19,22-26,33-34,37H,9-11,13-14H2,1-3H3/b16-4+,18-12-/t15-,17-,19-,22-,23+,24-,25-,26+,29-,30-/m0/s1
InChIKey: XPESNHSGXNAATK-AZEVYGSFSA-N
Reference
New humantenine-type indole alkaloids with iridoid unit from Gelsemium species
PubChem CID: 101858926
LOTUS: LTS0087487
SuperNatural Ⅲ: SN0436274-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium rankinii | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 552.6240000000003
TPSA？: 129.0
MolLogP？: 1.047400000000001
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|