CHEBI:215236 - 2,2',7,7'-Tetrachlorohypericin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,2',7,7'-Tetrachlorohypericin
ChEBI ID CHEBI:215236
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H12Cl4O8
Net Charge 0
Average Mass 642.220
Monoisotopic Mass 639.92863
InChI InChI=1S/C30H12Cl4O8/c1-3-5-6-4(2)20(32)28(40)16-8(6)10-9-7(5)15(27(39)19(3)31)23(35)17-11(9)13(25(37)21(33)29(17)41)14-12(10)18(24(16)36)30(42)22(34)26(14)38/h35,37-38,40-42H,1-2H3
InChIKey NBVIPXNCVNJJQP-UHFFFAOYSA-N
SMILES ClC=1C(=O)C2=C(O)C3=C(O)C(Cl)=C(O)C=4C3=C5C2=C(C1C)C=6C7=C(C(=O)C=8C(=C57)C4C(O)=C(Cl)C8O)C(O)=C(C6C)Cl
Metabolite of Species Details
Nephroma laevigatum (NCBI:txid203386) See: DOI
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
(via polycyclic arene )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polycyclic arene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,2',7,7'-Tetrachlorohypericin (CHEBI:215236) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)