Phyto4Health

T-2 Tetraol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL152377
PubChem: 9904331
IUPAC: (1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol
Standard InChI: InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15-/m0/s1
Standard InChI Key: ZAXZBJSXSOISTF-LYFQSNBGSA-N
SMILES: OC[C@]12C[C@H](O)C(=C[C@H]1O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)OC3)C

Molecular propeties

AlogP: -1.05
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 4
Rotatable bonds: 1
Number of rings: 4
Molecular Weight: 298.14
Topological polar surface area: 103
Number of aromatic rings: 0
Fsp3: 0.867
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantVeratrum album

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.