Geleganidine B
AlkaPlorer ID: AK006633
Synonym: None
IUPAC Name: (1R,3R,4Z,8S,10S,11S)-4-ethylidene-8-[2-[[2-[(1R,3R,4Z,8S,10S,11S)-4-ethylidene-7-oxo-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-8-yl]-5-methoxyphenyl]diazenyl]-4-methoxyphenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
Structure
SMILES: C/C=C\1/[C@H]2[C@H]3[C@H]4N(C1)C(=O)[C@](C4)([C@@H](C2)OC3)C5=C(C=C(C=C5)OC)N=NC6=C(C=CC(=C6)OC)[C@@]78C(=O)N9[C@@H](C7)[C@@H]1[C@H](/C(=C/C)/C9)C[C@H]8OC1
InChI: InChI=1S/C40H44N4O6/c1-5-21-17-43-33-15-39(37(43)45,35-13-25(21)27(33)19-49-35)29-9-7-23(47-3)11-31(29)41-42-32-12-24(48-4)8-10-30(32)40-16-34-28-20-50-36(40)14-26(28)22(6-2)18-44(34)38(40)46/h5-12,25-28,33-36H,13-20H2,1-4H3/b21-5+,22-6+,42-41?/t25-,26-,27-,28-,33-,34-,35+,36+,39-,40-/m0/s1
InChIKey: KBADRMCVUDWFPW-YLRODLKPSA-N
Reference
Geleganidines A–C, Unusual Monoterpenoid Indole Alkaloids from <i>Gelsemium elegans</i>
PubChem CID: 122183790
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 676.814
TPSA？: 102.25999999999999
MolLogP？: 5.786200000000006
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|