4-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one

Details

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Internal ID 570069ea-92a7-4f83-833d-42759ce7a42f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name 4-[1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
SMILES (Canonical) CC(=CC1=CC(=C(C=C1)O)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC
SMILES (Isomeric) CC(=CC1=CC(=C(C=C1)O)OC)C2(C=C(C(=O)C=C2OC)CC=C)OC
InChI InChI=1S/C21H24O5/c1-6-7-16-13-21(26-5,20(25-4)12-18(16)23)14(2)10-15-8-9-17(22)19(11-15)24-3/h6,8-13,22H,1,7H2,2-5H3
InChI Key JSWLJDNWLQCBNE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H24O5
Molecular Weight 356.40 g/mol
Exact Mass 356.16237386 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.25% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.13% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.17% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.80% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.89% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.22% 94.45%
CHEMBL4208 P20618 Proteasome component C5 87.37% 90.00%
CHEMBL2581 P07339 Cathepsin D 87.23% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.84% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.72% 99.17%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.10% 91.07%
CHEMBL3194 P02766 Transthyretin 83.14% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.90% 96.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.38% 89.62%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.74% 80.78%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Piper kadsura

Cross-Links

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PubChem 73071930
LOTUS LTS0248236
wikiData Q105134621