6-methyl-1-methylidene-4-propan-2-yl-3,4-dihydro-2H-naphthalene-2,7-diol

Details

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Internal ID 1ba6f577-c73e-4e4d-a575-ec15869f8d39
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 6-methyl-1-methylidene-4-propan-2-yl-3,4-dihydro-2H-naphthalene-2,7-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7-8,11,15-17H,4,6H2,1-3H3
InChI Key TZQJUIQPFZWYSD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O2
Molecular Weight 232.32 g/mol
Exact Mass 232.146329876 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-methyl-1-methylidene-4-propan-2-yl-3,4-dihydro-2H-naphthalene-2,7-diol

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 94.57% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.90% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 89.91% 93.40%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.28% 89.62%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 88.00% 90.24%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.11% 90.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.05% 93.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.66% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.60% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.14% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.68% 99.15%
CHEMBL4208 P20618 Proteasome component C5 84.44% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.39% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.33% 95.89%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 82.69% 97.23%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.45% 93.03%
CHEMBL1951 P21397 Monoamine oxidase A 81.42% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.50% 100.00%

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.
Heterotheca inuloides

Cross-Links

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PubChem 10059834
LOTUS LTS0075884
wikiData Q105268336