4-[(1R,3S,5R,7S,8S,9S,10R,12R,14S,15R,18R,19S,22S,23R)-8,10,22-trihydroxy-7,14,18-trimethyl-5'H-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-19-yl]-5H-furan-2-one
AlkaPlorer ID: AK478143
Synonym: None
IUPAC Name: 3-(8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl)-2H-furan-5-one
Structure
SMILES: CC1OC2OC3CC4CCC5C(CCC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)CC3OC2(O)C2(N=CCS2)C1O
InChI: InChI=1S/C31H43NO8S/c1-16-25(34)30(32-10-11-41-30)31(36)26(38-16)39-22-13-18-4-5-21-20(27(18,2)14-23(22)40-31)6-8-28(3)19(7-9-29(21,28)35)17-12-24(33)37-15-17/h10,12,16,18-23,25-26,34-36H,4-9,11,13-15H2,1-3H3
InChIKey: OJDKVUZIXKHTDF-UHFFFAOYSA-N
Reference
Three new cardenolides from the milkweeds Asclepias eriocarpa and A. Labriformis
PubChem CID: 78169140
LOTUS: LTS0119780
COCONUT: CNP0220808.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias eriocarpa | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 589.7510000000004
TPSA？: 127.04000000000002
MolLogP？: 2.9455000000000022
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|