Didrovaltrate

Representations & DB's id
ChEBI:	CHEBI:4517
ChEMBL:	CHEMBL550227
PubChem:	65689
IUPAC:	[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Standard InChI:	InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
Standard InChI Key:	PHHROXLDZHUIGO-PNBTUHDLSA-N
SMILES:	CC(CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C

Molecular propeties
AlogP:	2.74
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	0
Rotatable bonds:	8
Number of rings:	3
Molecular Weight:	424.21
Topological polar surface area:	101
Number of aromatic rings:	0
Fsp3:	0.773
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Tissue Culture	Valeriana officinalis
Root	Valeriana officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.