(4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-ol

Details

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Internal ID 7f710d94-03a4-4283-b9b3-ce18f127fa83
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h8,11-13,21H,6-7,9-10H2,1-5H3/t20-/m0/s1
InChI Key NQZJXJMDJDBUMZ-FQEVSTJZSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C20H28O
Molecular Weight 284.40 g/mol
Exact Mass 284.214015512 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 6.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4bS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthren-4-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.27% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.80% 93.99%
CHEMBL2581 P07339 Cathepsin D 94.08% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.32% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.30% 94.45%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.05% 99.15%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 89.00% 91.79%
CHEMBL1937 Q92769 Histone deacetylase 2 86.59% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.38% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.28% 90.71%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.19% 97.25%
CHEMBL2535 P11166 Glucose transporter 84.24% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.78% 93.40%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.31% 93.56%
CHEMBL4208 P20618 Proteasome component C5 80.26% 90.00%

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.
Salvia tchihatcheffii

Cross-Links

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PubChem 102066439
LOTUS LTS0079562
wikiData Q105184207