13-Hydroxy-1-(2-Hydroxy-5-Methoxy-3-Methylphenyl)-3,7,11,15-Tetramethylhexadeca-2,6,14-Triene-5,12-Dione

Details

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Internal ID c1c5a251-60a7-4370-892a-77a20bc61144
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H40O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,26,30-31H,8-10,12,15H2,1-7H3/b19-14-,20-11+
InChI Key HBKSTRSDLUAESY-PKVUCGNLSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C28H40O5
Molecular Weight 456.60 g/mol
Exact Mass 456.28757437 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 6.60

Synonyms

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(2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione
Z-Halidrysone A
CHEMBL453071
Q27134497

2D Structure

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2D Structure of 13-Hydroxy-1-(2-Hydroxy-5-Methoxy-3-Methylphenyl)-3,7,11,15-Tetramethylhexadeca-2,6,14-Triene-5,12-Dione

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 99.28% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.87% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.13% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.49% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.68% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.53% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.43% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 92.66% 94.73%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 92.60% 95.50%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 91.81% 91.07%
CHEMBL2535 P11166 Glucose transporter 90.01% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.19% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.68% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.56% 94.45%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.02% 95.89%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 86.08% 85.00%
CHEMBL4208 P20618 Proteasome component C5 83.61% 90.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.50% 94.33%
CHEMBL4581 P52732 Kinesin-like protein 1 81.60% 93.18%
CHEMBL340 P08684 Cytochrome P450 3A4 81.56% 91.19%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.12% 100.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.00% 97.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 24970395
LOTUS LTS0200281
wikiData Q27134497