Labriformin
AlkaPlorer ID: AK033294
Synonym: '', 'Labriformin'
IUPAC Name: (1S,2S,3S,5R,6R,9R,10R,12S,14R,16R,18S,20R,23R,25R)-3,9,23-trihydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)spiro[11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacosane-22,2'-5H-1,3-thiazole]-4-one
Structure
SMILES: C[C@@H]1CC2(N=CCS2)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](C[C@@H]5O[C@]56[C@@H]4[C@H](O)C(=O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]64O)C[C@H]3O[C@@H]2O1
InChI: InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30+,31-/m1/s1
InChIKey: BGKAKFOJZRBENJ-YWBLJHEQSA-N
Reference
Three new cardenolides from the milkweeds Asclepias eriocarpa and A. Labriformis
PubChem CID: 441862
LOTUS: LTS0193996
NPASS: NPC267362
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias eriocarpa | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 617.7170000000003
TPSA？: 156.64
MolLogP？: 1.2558
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|