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CHEBI:66059 - hypocrellin D

ChEBI IDCHEBI:66059
ChEBI Namehypocrellin D
Stars
DefinitionAn organic polycyclic compound that is a cytotoxic fungal pigment isolated from the fruiting bodies of the ascomycete Shiraia bambusicola.
Last Modified9 June 2016
DownloadsMolfile
FormulaC30H26O12
Net Charge0
Average Mass578.526
Monoisotopic Mass578.14243
SMILESCOC1=CC(=O)c2c(O)c(OC)c3c(c2C1=O)-c1c2c(c(O)c(OC)c1[C@@H](C(C)=O)[C@@](C)(O)C3)C(=O)C=C(OC)C2=O
InChIInChI=1S/C30H26O12/c1-10(31)23-22-19(21-18(27(37)29(22)42-6)13(33)8-15(40-4)25(21)35)16-11(9-30(23,2)38)28(41-5)26(36)17-12(32)7-14(39-3)24(34)20(16)17/h7-8,23,36-38H,9H2,1-6H3/t23-,30+/m1/s1
InChIKeyUVHNWRDTZAYVST-DJUQAAIZSA-N
Species of MetaboliteComponentSourceComments
Shiraia bambusicola (ncbitaxon:224420) fruit body (BTO:0000487) PubMed (16915819)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
hypocrellin D (CHEBI:66059) has role antineoplastic agent (CHEBI:35610)
hypocrellin D (CHEBI:66059) has role metabolite (CHEBI:25212)
hypocrellin D (CHEBI:66059) is a aromatic ether (CHEBI:35618)
hypocrellin D (CHEBI:66059) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
hypocrellin D (CHEBI:66059) is a methyl ketone (CHEBI:51867)
hypocrellin D (CHEBI:66059) is a organic polycyclic compound (CHEBI:51958)
hypocrellin D (CHEBI:66059) is a polyphenol (CHEBI:26195)
hypocrellin D (CHEBI:66059) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3R,4S)-3-acetyl-1,4,7-trihydroxy-2,6,10,13-tetramethoxy-4-methyl-4,5-dihydro-3H-cyclohepta[1,2-a:7,6-a']dinaphthalene-8,11,12,15-tetrone
Citations