CHEBI:10324 - α-peltatin

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ChEBI Name α-peltatin
ChEBI ID CHEBI:10324
ChEBI ASCII Name alpha-peltatin
Definition An organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O8
Net Charge 0
Average Mass 400.37870
Monoisotopic Mass 400.11582
InChI InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1
InChIKey JGGWNGRBXJWAOC-HKJPBSJPSA-N
SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3c(O)c1C2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-peltatin (CHEBI:10324) has role antineoplastic agent (CHEBI:35610)
α-peltatin (CHEBI:10324) has role metabolite (CHEBI:25212)
α-peltatin (CHEBI:10324) is a γ-lactone (CHEBI:37581)
α-peltatin (CHEBI:10324) is a furonaphthodioxole (CHEBI:50307)
α-peltatin (CHEBI:10324) is a lignan (CHEBI:25036)
α-peltatin (CHEBI:10324) is a organic heterotetracyclic compound (CHEBI:38163)
α-peltatin (CHEBI:10324) is a phenols (CHEBI:33853)
Incoming β-peltatin (CHEBI:74867) has functional parent α-peltatin (CHEBI:10324)
IUPAC Name
(5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Synonyms Sources
8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone ChEBI
[5R-(5α,5aα,5aβ,8aα)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one ChEBI
α-peltatin A ChemIDplus
NCI 1074 ChemIDplus
NSC 24817 ChemIDplus
Manual Xrefs Databases
C00002615 KNApSAcK
C10729 KEGG COMPOUND
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Registry Numbers Types Sources
568-53-6 CAS Registry Number KEGG COMPOUND
568-53-6 CAS Registry Number ChemIDplus
98482 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12991048 PubMed citation Europe PMC
13233861 PubMed citation Europe PMC
14380575 PubMed citation Europe PMC
14774701 PubMed citation Europe PMC
14774702 PubMed citation Europe PMC
20270852 PubMed citation Europe PMC
2836661 PubMed citation Europe PMC
3430175 PubMed citation Europe PMC
Last Modified
28 July 2014