Mixture/Component Compounds for PubChem Compound (Select 158493812) - PubChem Compound

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Items: 5

Select item 904290811.

an image of a chemical structure CID 90429081

SCHEMBL16062816

MW:: 480.700
MF:: C₃₄H₄₁P

IUPAC name:: methyl-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)p...

Create Date:: 2015-02-13

CID:: 90429081

Summary Same Parent, Connectivity Mixture/Component Compounds

Select item 177866392.

an image of a chemical structure CID 17786639

(Z)-3-methyl-4-oxobut-2-enoic acid; 70143-04-3; 3-formyl-crotonic acid ...

MW:: 114.100
MF:: C₅H₆O₃

IUPAC name:: (Z)-3-methyl-4-oxobut-2-enoic acid

Create Date:: 2007-12-04

CID:: 17786639

Summary Same Parent, Connectivity Mixture/Component Compounds

Select item 110945703.

an image of a chemical structure CID 11094570

3-methyl-4-oxo-crotonic acid; ZINC38233793; AKOS006378222

MW:: 114.100
MF:: C₅H₆O₃

IUPAC name:: (E)-3-methyl-4-oxobut-2-enoic acid

Create Date:: 2006-10-26

CID:: 11094570

Summary Same Parent, Connectivity Mixture/Component Compounds

Select item 52823794.

an image of a chemical structure CID 5282379

4759-48-2; Isotretinoin; 13-cis-Retinoic acid ...

MW:: 300.400
MF:: C₂₀H₂₈O₂

IUPAC name:: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl...

Create Date:: 2005-06-24

CID:: 5282379

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 4447955.

an image of a chemical structure CID 444795

Retinoic acid; tretinoin; 302-79-4 ...

MW:: 300.400
MF:: C₂₀H₂₈O₂

IUPAC name:: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl...

Create Date:: 2004-09-16

CID:: 444795

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

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Chemical Properties

Rule of 5 (2)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (2)
Compounds identified as active in screening experiments

BioAssays, Tested (2)
Compounds identified as tested in screening experiments

Protein 3D Structures (2)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (2)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (1)
Compounds involved in biological pathways

Depositor Category