CHEBI:543841 - dihydrocubebin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydrocubebin
ChEBI ID CHEBI:543841
Definition A glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4561, CHEBI:568541, CHEBI:582189
Supplier Information
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Formula C20H22O6
Net Charge 0
Average Mass 358.38510
Monoisotopic Mass 358.14164
InChI InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
InChIKey JKCVMTYNARDGET-HOTGVXAUSA-N
SMILES OC[C@H](Cc1ccc2OCOc2c1)[C@H](CO)Cc1ccc2OCOc2c1
ChEBI Ontology
Outgoing dihydrocubebin (CHEBI:543841) is a benzodioxoles (CHEBI:38298)
dihydrocubebin (CHEBI:543841) is a butanediols (CHEBI:22944)
dihydrocubebin (CHEBI:543841) is a glycol (CHEBI:13643)
dihydrocubebin (CHEBI:543841) is a lignan (CHEBI:25036)
IUPAC Name
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Synonyms Sources
(-)-dihydrocubebin ChEMBL
Dihydrocubebin KEGG COMPOUND
dihydrocubebin ChEMBL
Manual Xrefs Databases
C00002599 KNApSAcK
C10558 KEGG COMPOUND
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Registry Numbers Types Sources
24563-03-9 CAS Registry Number KEGG COMPOUND
24563-03-9 CAS Registry Number ChemIDplus
96570 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15679319 PubMed citation ChEMBL
16038539 PubMed citation ChEMBL
18570470 PubMed citation ChEMBL
Last Modified
21 January 2015