CHEBI:65345 - PX-866

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ChEBI Name PX-866
ChEBI ID CHEBI:65345
Definition An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H35NO8
Net Charge 0
Average Mass 525.59010
Monoisotopic Mass 525.23627
InChI InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1
InChIKey QIUASFSNWYMDFS-NILGECQDSA-N
SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C(O)=C2\C(=C/N(CC=C)CC=C)C(=O)O[C@H](COC)[C@]12C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PX-866 (CHEBI:65345) has functional parent wortmannin (CHEBI:52289)
PX-866 (CHEBI:65345) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
PX-866 (CHEBI:65345) is a δ-lactone (CHEBI:18946)
PX-866 (CHEBI:65345) is a acetate ester (CHEBI:47622)
PX-866 (CHEBI:65345) is a organic heterotetracyclic compound (CHEBI:38163)
PX-866 (CHEBI:65345) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
(1E,4S,4aR,5R,6aS,9aR)-1-{[di(prop-2-en-1-yl)amino]methylidene}-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate
Registry Number Type Source
12534000 Reaxys Registry Number Reaxys
Last Modified
30 July 2012