CHEBI:133905 - demethoxyaschantin

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ChEBI Name demethoxyaschantin
ChEBI ID CHEBI:133905
Definition A member of the class of furofurans that is tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole carrying an additional 3,4-dimethoxyphenyl substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H22O6
Net Charge 0
Average Mass 370.397
Monoisotopic Mass 370.14164
InChI InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1
InChIKey AWOGQCSIVCQXBT-VUEDXXQZSA-N
SMILES [C@]12([C@@]([C@H](OC1)C3=CC=C(C(=C3)OC)OC)(CO[C@@H]2C=4C=CC5=C(C4)OCO5)[H])[H]
Metabolite of Species Details
Aristolochia gigantea (NCBI:txid12948) Found in stem (BTO:0001300). See: PubMed
Raulinoa echinata (NCBI:txid1331808) Found in leaf (BTO:0000713). See: PubMed
Leucophyllum ambiguum (NCBI:txid1382326) See: PubMed
Zanthoxylum rhetsa (NCBI:txid1640437) Found in bark (BTO:0001301). See: PubMed
Zanthoxylum simulans (NCBI:txid328402) See: PubMed
Geranium thunbergii (NCBI:txid345239) Found in whole plant (BTO:0001461). See: PubMed
Artemisia gorgonum (NCBI:txid401901) Found in aerial part (BTO:0001658). See: PubMed
Sassafras albidum (NCBI:txid46945) Found in bark (BTO:0001301). See: PubMed
Teucrium viscidum (NCBI:txid587682) Found in whole plant (BTO:0001461). See: PubMed
Zanthoxylum armatum (NCBI:txid67938) Found in stem (BTO:0001300). See: PubMed
Apis cerana (NCBI:txid7461) See: MetaboLights Study
Magnolia biondii (NCBI:txid86725) Found in flower bud (BTO:0000470). See: PubMed
Magnolia biondii (NCBI:txid86725) Found in flower bud (BTO:0000470). See: PubMed
Aiouea trinervis (NCBI:txid881587) Found in leaf (BTO:0000713). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing demethoxyaschantin (CHEBI:133905) has role plant metabolite (CHEBI:76924)
demethoxyaschantin (CHEBI:133905) is a benzodioxoles (CHEBI:38298)
demethoxyaschantin (CHEBI:133905) is a dimethoxybenzene (CHEBI:51681)
demethoxyaschantin (CHEBI:133905) is a furofuran (CHEBI:47790)
demethoxyaschantin (CHEBI:133905) is a lignan (CHEBI:25036)
IUPAC Name
5-[(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
Synonyms Sources
(+)-Demethoxyaschantin KEGG COMPOUND
(+)-Kobusin KNApSAcK
(+)-Spinescin KNApSAcK
Kobusin KNApSAcK
Methylpiperitol KNApSAcK
Manual Xrefs Databases
C00000643 KNApSAcK
C17844 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
27130216 Reaxys Registry Number Reaxys
36150-23-9 CAS Registry Number KEGG COMPOUND
36150-23-9 CAS Registry Number ChemIDplus
4911656 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11704964 PubMed citation Europe PMC
12608853 PubMed citation Europe PMC
17225459 PubMed citation Europe PMC
17628872 PubMed citation Europe PMC
19943243 PubMed citation Europe PMC
21059381 PubMed citation Europe PMC
21178901 PubMed citation Europe PMC
21982788 PubMed citation Europe PMC
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24412550 PubMed citation Europe PMC
24534301 PubMed citation Europe PMC
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25920270 PubMed citation Europe PMC
26411017 PubMed citation Europe PMC
26635857 PubMed citation Europe PMC
26666037 PubMed citation Europe PMC
26833996 PubMed citation Europe PMC
27231889 PubMed citation Europe PMC
27693952 PubMed citation Europe PMC
278372 Chinese Abstracts citation Europe PMC
7779269 PubMed citation Europe PMC
Last Modified
30 March 2017