Swainsonine

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	0a5c1f91-2bb7-40df-b7ac-a03960576257
Taxonomy	Organoheterocyclic compounds > Indolizidines
IUPAC Name	(1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
SMILES (Canonical)	C1CC(C2C(C(CN2C1)O)O)O
SMILES (Isomeric)	C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O
InChI	InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
InChI Key	FXUAIOOAOAVCGD-WCTZXXKLSA-N
Popularity	1,137 references in papers

Physical and Chemical Properties

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Molecular Formula	C₈H₁₅NO₃
Molecular Weight	173.21 g/mol
Exact Mass	173.10519334 g/mol
Topological Polar Surface Area (TPSA)	63.90 Å²
XlogP	-1.30

Synonyms

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Tridolgosir

72741-87-8

DTXSID5046356

RSY4RK37KQ

(1S,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol

(1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

1,2,8-Indolizinetriol, octahydro-, (1S-(1alpha,2alpha,8beta,8abeta))-

CHEBI:9367

DTXCID3026356

tridolgosirum

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
CHEMBL4059	O00754	Lysosomal alpha-mannosidase	10 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	88.97%	96.03%
CHEMBL3105	P09874	Poly [ADP-ribose] polymerase-1	88.70%	93.90%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	88.05%	95.61%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.93%	92.94%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.72%	95.89%
CHEMBL5203	P33316	dUTP pyrophosphatase	86.66%	99.18%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	86.06%	98.46%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.60%	96.09%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	84.04%	94.78%
CHEMBL3437	Q16853	Amine oxidase, copper containing	83.71%	94.00%
CHEMBL2581	P07339	Cathepsin D	83.35%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.22%	97.09%
CHEMBL274	P51681	C-C chemokine receptor type 5	81.61%	98.77%
CHEMBL237	P41145	Kappa opioid receptor	81.03%	98.10%
CHEMBL238	Q01959	Dopamine transporter	80.65%	95.88%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	80.30%	97.47%

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.

Astragalus emoryanus

Astragalus lentiginosus

Astragalus oxyphysus

Astragalus whitneyi

Castanospermum australe

Swainsona galegifolia