Otosenine

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	e527be5b-ba0e-4185-a604-5e100c9e4c0c
Taxonomy	Organoheterocyclic compounds > Azaspirodecane derivatives
IUPAC Name	(1R,3'S,4S,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
SMILES (Canonical)	CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C
SMILES (Isomeric)	C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C
InChI	InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14-,18-,19+/m1/s1
InChI Key	CZQLULNMKQAIQL-GZSSMBGUSA-N
Popularity	21 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₉H₂₇NO₇
Molecular Weight	381.40 g/mol
Exact Mass	381.17875220 g/mol
Topological Polar Surface Area (TPSA)	106.00 Å²
XlogP	0.60

Synonyms

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Othosenine

Tomentosine

Othosenin

d-Otocenime

d-Otosenine

16958-29-5

(-)-Octosenine

Z999A1E7I4

(1R,3'S,4S,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

Otosenin

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.78%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.46%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.41%	85.14%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.94%	95.89%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.58%	93.40%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.24%	100.00%
CHEMBL1871	P10275	Androgen Receptor	86.15%	96.43%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.74%	99.23%
CHEMBL2581	P07339	Cathepsin D	85.67%	98.95%
CHEMBL4208	P20618	Proteasome component C5	83.93%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.63%	89.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.46%	92.94%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.62%	97.14%

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.

Doronicum macrophyllum

Gynura procumbens

Jacobaea maritima subsp. maritima