CHEBI:193000 - mollebenzylanol A

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ChEBI Name mollebenzylanol A
ChEBI ID CHEBI:193000
Definition A diterpenoid isolated from the leaves of Rhododendron molle.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=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+/m0/s1
InChIKey NDPVYKDORPXALK-YGFFHHMWSA-N
SMILES [H][C@@]12[C@@H](O)[C@H](O)C(C)(C)[C@]11O[C@@](C)(O[C@@H]1CC1=CC=CC(C)=C1)[C@H]2C
Metabolite of Species Details
Rhododendron molle (NCBI:txid49168) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mollebenzylanol A (CHEBI:193000) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
mollebenzylanol A (CHEBI:193000) has role plant metabolite (CHEBI:76924)
mollebenzylanol A (CHEBI:193000) is a cyclic ether (CHEBI:37407)
mollebenzylanol A (CHEBI:193000) is a diol (CHEBI:23824)
mollebenzylanol A (CHEBI:193000) is a toluenes (CHEBI:27024)
mollebenzylanol A (CHEBI:193000) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name
(1R,3R,4S,4aR,5R,6R,7aR)-3,4,7,7-tetramethyl-1-(3-methylbenzyl)hexahydro-3,7a-epoxycyclopenta[c]pyran-5,6(1H)-diol
Citations Waiting for Citations Types Sources
29533072 PubMed citation Europe PMC
29878011 PubMed citation Europe PMC
32924500 PubMed citation Europe PMC
Last Modified
23 August 2022