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CHEBI:193001 - mollebenzylanol B

ChEBI IDCHEBI:193001
ChEBI Namemollebenzylanol B
Stars
DefinitionA diterpenoid isolated from the leaves of Rhododendron molle.
Last Modified23 August 2022
SubmitterAdnan
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12[C@@H](O)[C@H](O)C(C)(C)[C@]13O[C@@](C)(O[C@@H]3Cc1cccc(C)c1)[C@@H]2C
InChIInChI=1S/C20H28O4/c1-11-7-6-8-13(9-11)10-14-20-15(12(2)19(5,23-14)24-20)16(21)17(22)18(20,3)4/h6-9,12,14-17,21-22H,10H2,1-5H3/t12-,14-,15-,16-,17+,19-,20-/m1/s1
InChIKeyNDPVYKDORPXALK-BJKYDIMVSA-N
Species of MetaboliteComponentSourceComments
Rhododendron molle (ncbitaxon:49168) leaf (BTO:0000713) PubMed (29533072)
Roles Classification
Biological Roles:
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
mollebenzylanol B (CHEBI:193001) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
mollebenzylanol B (CHEBI:193001) has role plant metabolite (CHEBI:76924)
mollebenzylanol B (CHEBI:193001) is a cyclic ether (CHEBI:37407)
mollebenzylanol B (CHEBI:193001) is a diol (CHEBI:23824)
mollebenzylanol B (CHEBI:193001) is a toluenes (CHEBI:27024)
mollebenzylanol B (CHEBI:193001) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(1R,3R,4R,4aR,5R,6R,7aR)-3,4,7,7-tetramethyl-1-(3-methylbenzyl)hexahydro-3,7a-epoxycyclopenta[c]pyran-5,6(1H)-diol
Citations