CHEBI:125173 - (3R,3'R,4'S,6'R,8'S,8'aS)-5-(4-hydroxybut-1-ynyl)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

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ChEBI Name (3R,3'R,4'S,6'R,8'S,8'aS)-5-(4-hydroxybut-1-ynyl)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
ChEBI ID CHEBI:125173
Stars This entity has been manually annotated by a third party.
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Formula C47H44N6O7
Net Charge 0
Average Mass 804.890
Monoisotopic Mass 804.32715
InChI InChI=1S/C47H44N6O7/c54-27-10-9-12-31-19-20-36-35(30-31)47(45(58)50-36)38(43(56)51-23-25-52(26-24-51)46-48-21-11-22-49-46)40-44(57)60-41(33-15-5-2-6-16-33)39(32-13-3-1-4-14-32)53(40)42(47)34-17-7-8-18-37(34)59-29-28-55/h1-8,11,13-22,30,38-42,54-55H,10,23-29H2,(H,50,58)/t38-,39-,40-,41+,42+,47-/m0/s1
InChIKey DEKIJPKQVLBTGQ-AEWJWUJOSA-N
SMILES C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCCO)NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
ChEBI Ontology
Outgoing (3R,3'R,4'S,6'R,8'S,8'aS)-5-(4-hydroxybut-1-ynyl)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CHEBI:125173) is a stilbenoid (CHEBI:26776)
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Last Modified
03 March 2016