1-(4,7a-Dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-ol

Details

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Internal ID a20133b2-cb5e-4e43-9150-0eca7629cf1c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name 1-(4,7a-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-ol
SMILES (Canonical) CC1=C2C=C(CC2(CCC1)C)C(C(C)C)O
SMILES (Isomeric) CC1=C2C=C(CC2(CCC1)C)C(C(C)C)O
InChI InChI=1S/C15H24O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10,14,16H,5-7,9H2,1-4H3
InChI Key UOVORXZPBDGJCT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(4,7a-Dimethyl-1,5,6,7-tetrahydroinden-2-yl)-2-methylpropan-1-ol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.08% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.79% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.28% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.57% 95.56%
CHEMBL2581 P07339 Cathepsin D 85.37% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 84.84% 96.38%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.33% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 82.55% 90.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.46% 95.89%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.21% 95.50%

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.
Ocotea porosa

Cross-Links

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PubChem 162920081
LOTUS LTS0211131
wikiData Q105276596