Same Parent, Connectivity for PubChem Compound (Select 6437004) - PubChem Compound - NCBI

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Items: 11

Select item 64370041.

an image of a chemical structure CID 6437004

52340-45-1; (Z)-ALPHA-IONONE; (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one ...

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (Z)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

Create Date:: 2006-04-28

CID:: 6437004

Summary Same Parent, Connectivity

Select item 54985212.

an image of a chemical structure CID 5498521

24190-29-2; (r)-alpha-ionone; [R-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one ...

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (E)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-10

CID:: 5498521

Summary Same Parent, Connectivity

Select item 52821083.

an image of a chemical structure CID 5282108

ALPHA-IONONE; 127-41-3; (E)-alpha-Ionone ...

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

Create Date:: 2005-03-26

CID:: 5282108

Summary Same Parent, Connectivity PubMed (MeSH Keyword)

Select item 15507204.

an image of a chemical structure CID 1550720

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (Z)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-11

CID:: 1550720

Summary Same Parent, Connectivity

Select item 15507195.

an image of a chemical structure CID 1550719

ZINC100061629; (R,S)-4(Z)-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (Z)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-11

CID:: 1550719

Summary Same Parent, Connectivity

Select item 12681186.

an image of a chemical structure CID 1268118

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-10

CID:: 1268118

Summary Same Parent, Connectivity

Select item 6380137.

an image of a chemical structure CID 638013

14398-36-8; [S-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; R-b-Ionone ...

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: (E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-10

CID:: 638013

Summary Same Parent, Connectivity

Select item 903898.

an image of a chemical structure CID 90389

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: 4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one

Create Date:: 2005-07-10

CID:: 90389

Summary Same Parent, Connectivity

Select item 246809.

an image of a chemical structure CID 24680

.alpha.-Ionone; (3Z)-4-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)BUT-3-EN-2-ONE; DTXSID7044477 ...

MW:: 192.300
MF:: C₁₃H₂₀O

IUPAC name:: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

Create Date:: 2005-03-26

CID:: 24680

Summary Same Parent, Connectivity

Select item 13421079510.

an image of a chemical structure CID 134210795

SCHEMBL19816175

MW:: 210.310
MF:: C₁₃H₂₂O₂

IUPAC name:: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one;hydr...

Create Date:: 2018-06-23

CID:: 134210795

Summary Same Parent, Connectivity Mixture/Component Compounds

Select item 6683620811.

an image of a chemical structure CID 66836208

MW:: 384.600
MF:: C₂₆H₄₀O₂

IUPAC name:: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one

Create Date:: 2012-11-30

CID:: 66836208

Summary Same Parent, Connectivity Mixture/Component Compounds

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Chemical Properties

Rule of 5 (9)
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, Tested (1)
Compounds identified as tested in screening experiments

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Same Parent, Connectivity for PubChem Compound (Select 6437004) (11)
PubChem Compound
Chain A, CCDB
Chain A, CCDB
gi|157837009|pdb|4VUB|A

Protein
uncharacterized protein NECHADRAFT_94391 [Fusarium vanettenii 77-13-4]
uncharacterized protein NECHADRAFT_94391 [Fusarium vanettenii 77-13-4]
gi|302892549|ref|XP_003045156.1|

Protein
hypothetical protein BATDEDRAFT_34388 [Batrachochytrium dendrobatidis JAM81]
hypothetical protein BATDEDRAFT_34388 [Batrachochytrium dendrobatidis JAM81]
gi|328772331|gb|EGF82369.1||gnl|WGS |BATDEDRAFT_34388

Protein
zinc finger protein 717 isoform X2 [Homo sapiens]
zinc finger protein 717 isoform X2 [Homo sapiens]
gi|767922037|ref|XP_011531547.1|

Protein

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