ROCAGLAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31NO7
Molecular Weight	505.5589
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)[C@@]23OC4=C(C(OC)=CC(OC)=C4)[C@]2(O)[C@H](O)[C@@H]([C@H]3C5=CC=CC=C5)C(=O)N(C)C

InChI

InChIKey=DAPAQENNNINUPW-IDAMAFBJSA-N

InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H31NO7
Molecular Weight	505.5589
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Prohibitin 1 Target ID: P35232 Gene ID: 5245.0 Gene Symbol: PHB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22999878	Binding Agent 1076
Prohibitin-2 1 Target ID: Q99623 Gene ID: 11331.0 Gene Symbol: PHB2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/22999878	Binding Agent 1076

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:45:15 GMT 2025` Edited by `admin` on `Tue Apr 01 19:45:15 GMT 2025`
Record UNII	FRG4N852F7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-326408

Preferred Name

English

ROCAGLAMIDE

Common Name

English

1H-CYCLOPENTA(B)BENZOFURAN-2-CARBOXAMIDE, 2,3,3A,8B-TETRAHYDRO-1,8B-DIHYDROXY-6,8-DIMETHOXY-3A-(4-METHOXYPHENYL)-N,N-DIMETHYL-3-PHENYL-, (1R,2R,3S,3AR,8BS)-

Systematic Name

English

(-)-ROCAGLAMIDE

Common Name

English

Code System Code Type Description

PUBCHEM

331783