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CHEBI:233288 - pillar[5]arene

ChEBI IDCHEBI:233288
ChEBI Namepillar[5]arene
Stars
SubmitterFlyBase
DownloadsMolfile
Formula3C3H6O.2C47H52O10
Net Charge0
Average Mass1728.086
Monoisotopic Mass1726.83769
SMILESC=CCc1c(O)c2cc(OC)c1Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C2.C=CCc1c(O)c2cc(OC)c1Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C2.CC(C)=O.CC(C)=O.CC(C)=O
InChIInChI=1S/2C47H52O10.3C3H6O/c2*1-11-12-36-37-17-34-25-44(55-8)32(23-45(34)56-9)15-30-21-40(51-4)28(19-41(30)52-5)13-27-18-39(50-3)29(20-38(27)49-2)14-31-22-43(54-7)33(24-42(31)53-6)16-35(47(36)48)26-46(37)57-10;3*1-3(2)4/h2*11,18-26,48H,1,12-17H2,2-10H3;3*1-2H3
InChIKeyHQLYKRUIOCYBOL-UHFFFAOYSA-N
Roles Classification
Biological Role:
genotoxin  A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
ChEBI Ontology
Outgoing Relation(s)
pillar[5]arene (CHEBI:233288) has role genotoxin (CHEBI:50902)
pillar[5]arene (CHEBI:233288) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
9,14,19,24,26,28,30,32,34-nonamethoxy-5-prop-2-enylhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaen-4-ol;propan-2-one
Citations