CHEBI:7014 - mucronulatol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mucronulatol
ChEBI ID CHEBI:7014
Definition A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H18O5
Net Charge 0
Average Mass 302.32180
Monoisotopic Mass 302.11542
InChI InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1
InChIKey NUNFZNIXYWTZMW-LLVKDONJSA-N
SMILES COc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1O
Metabolite of Species Details
Robinia pseudoacacia (NCBI:txid35938) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mucronulatol (CHEBI:7014) has functional parent (S)-isoflavan (CHEBI:36100)
mucronulatol (CHEBI:7014) has role antineoplastic agent (CHEBI:35610)
mucronulatol (CHEBI:7014) has role plant metabolite (CHEBI:76924)
mucronulatol (CHEBI:7014) is a hydroxyisoflavans (CHEBI:76250)
mucronulatol (CHEBI:7014) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name
(3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonym Source
(−)-mucronulatol ChEBI
Manual Xrefs Databases
C00002551 KNApSAcK
C10507 KEGG COMPOUND
LMPK12080024 LIPID MAPS
View more database links
Registry Numbers Types Sources
11296967 Reaxys Registry Number Reaxys
20878-97-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
18538108 PubMed citation Europe PMC
21214467 PubMed citation Europe PMC
Last Modified
09 June 2015