(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide (CHEBI:125226)

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CHEBI:125226 - (3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide

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ChEBI ID	CHEBI:125226
ChEBI Name	(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C47H41N3O7
Net Charge	0
Average Mass	759.859
Monoisotopic Mass	759.29445
SMILES	C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12
InChI	InChI=1S/C47H41N3O7/c1-3-26-48-44(52)39-41-45(53)57-42(33-12-8-5-9-13-33)40(32-10-6-4-7-11-32)50(41)43(34-19-23-36(24-20-34)56-28-27-51)47(39)37-29-31(18-25-38(37)49-46(47)54)15-14-30-16-21-35(55-2)22-17-30/h3-13,16-25,29,39-43,51H,1,26-28H2,2H3,(H,48,52)(H,49,54)/t39-,40-,41-,42+,43+,47-/m1/s1
InChIKey	GQTSDHBBWOAFCN-LXWWIJTGSA-N

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-prop-2-enyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide (CHEBI:125226) is a diarylheptanoid (CHEBI:78802)

Manual Xrefs	Databases
LSM-36694	LINCS