Strictosamide

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	7115d9a9-4b03-47f5-ad9d-8e8289024f53
Taxonomy	Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
IUPAC Name	(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
SMILES (Canonical)	C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4
SMILES (Isomeric)	C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4
InChI	InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1
InChI Key	LBRPLJCNRZUXLS-IUNANRIWSA-N
Popularity	22 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₆H₃₀N₂O₈
Molecular Weight	498.50 g/mol
Exact Mass	498.20021592 g/mol
Topological Polar Surface Area (TPSA)	145.00 Å²
XlogP	0.40

Synonyms

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23141-25-5

CHEMBL4438424

(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one

5H-Indolo[2,3-a]pyrano[3,4-g]quinolizin-5-one, 1-ethenyl-2-(beta-D-glucopyranosyloxy)-1,2,7,8,13,13b,14,14a-octahydro-, (1R,2S,13bS,14aS)-

3-epi-Vincosamide; Isovincoside lactam; Strictosidine lactam

SCHEMBL7906980

CHEBI:80684

DTXSID60438421

HY-N1198

BDBM50531272

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.80%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.62%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.14%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.65%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.14%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.53%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.39%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.88%	94.45%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	90.48%	86.92%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	88.96%	95.83%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.54%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.06%	85.14%
CHEMBL3310	Q96DB2	Histone deacetylase 11	84.81%	88.56%
CHEMBL5103	Q969S8	Histone deacetylase 10	83.78%	90.08%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.39%	91.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.05%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.84%	95.89%

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.

Amsonia orientalis

Cephalanthus occidentalis

Cinnamodendron axillare

Mostuea brunonis

Nauclea orientalis

Nauclea pobeguinii

Neonauclea sessilifolia