Phyto4Health

Oleanderolide

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL498230
PubChem: 11113483
IUPAC: (1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-10,16-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
Standard InChI: InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20+,21-,22-,26-,27+,28-,29-,30+/m0/s1
Standard InChI Key: CXELEGXSGVFEND-NVTHVPAHSA-N
SMILES: O[C@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3CC[C@]2([C@]2([C@@]31OC(=O)[C@]1([C@H]3CC(C)(C)CC1)CC2)C)C)(C)C)O

Molecular propeties

AlogP: 5.88
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 472.36
Topological polar surface area: 66.8
Number of aromatic rings: 0
Fsp3: 0.967
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantMalva sylvestris
PlantNerium oleander
PlantNerium oleander
PlantNerium oleander

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others0.97 DNA topoisomerase II alphaP11388
Others0.77 DNA topoisomerase IP11387