Taxodione

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	20bdf402-8894-4235-b69e-5a9b799bb09e
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name	(4bS,8aS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
SMILES (Canonical)	CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C
SMILES (Isomeric)	CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C
InChI	InChI=1S/C20H26O3/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/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1
InChI Key	FNNZMRSRVYUVQT-AZUAARDMSA-N
Popularity	55 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₀H₂₆O₃
Molecular Weight	314.40 g/mol
Exact Mass	314.18819469 g/mol
Topological Polar Surface Area (TPSA)	54.40 Å²
XlogP	4.10

Synonyms

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Taxodion

Taxodione, (+)-

CHEBI:9419

19026-31-4

W96G420HJX

Podocarpa-7,9(11),13-triene-6,12-dione, 11-hydroxy-13-isopropyl-

3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-trans)-

(4bS,8aS)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione

3,9-Phenanthrenedione, 4b,5,6,7,8,8a-hexahydro-4-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-

AC1Q6CEN

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.58%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.54%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.41%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.40%	94.45%
CHEMBL218	P21554	Cannabinoid CB1 receptor	92.98%	96.61%
CHEMBL1937	Q92769	Histone deacetylase 2	91.76%	94.75%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.76%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.36%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.17%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.52%	90.71%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.99%	96.77%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.55%	89.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.51%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.74%	93.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.52%	99.23%

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.