Taxodone

Details

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Internal ID 6078fc81-c3a5-492e-8545-69139163ec40
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1
InChI Key QEAIMIKGLGBTSA-ADLFWFRXSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C20H28O3
Molecular Weight 316.40 g/mol
Exact Mass 316.20384475 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 4.10

Synonyms

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19039-02-2
NSC122420
6,11-Dihydroxyabieta-7,9(11),13-trien-12-one
AC1L5HUE
(6|A)-6,11-dihydroxyabieta-7,9(11),13-trien-12-one
CHEBI:9420
NSC-122420
(4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
C09196
Q7689670

2D Structure

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2D Structure of Taxodone

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 96.46% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.80% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.54% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.36% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 90.46% 90.71%
CHEMBL1937 Q92769 Histone deacetylase 2 90.39% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.93% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.59% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.39% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.17% 100.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.51% 93.40%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.42% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.61% 97.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.55% 96.61%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.09% 99.15%

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 munzii
Salvia phlomoides

Cross-Links

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PubChem 275528
LOTUS LTS0094025
wikiData Q7689670