Hippagine

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	5459f02a-bcfc-47b0-bade-54b7a169e83a
Taxonomy	Organoheterocyclic compounds > Benzazepines
IUPAC Name	5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol
SMILES (Canonical)	C1C(C(C=C2C1N3CC2C4=CC5=C(C=C4C3)OCO5)O)O
SMILES (Isomeric)	C1C(C(C=C2C1N3CC2C4=CC5=C(C=C4C3)OCO5)O)O
InChI	InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2
InChI Key	JKZMYBLUKAMPKM-UHFFFAOYSA-N
Popularity	3 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₆H₁₇NO₄
Molecular Weight	287.31 g/mol
Exact Mass	287.11575802 g/mol
Topological Polar Surface Area (TPSA)	62.20 Å²
XlogP	0.00

Synonyms

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(-)-Pancracine

21416-14-8

5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol

CHEBI:181611

JKZMYBLUKAMPKM-UHFFFAOYSA-N

AKOS040735338

NCGC00385948-01

[6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]-5,6a,7,8,9,11-Hex ahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, [6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]-

NCGC00385948-01_C16H17NO4_6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-

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
CHEMBL4040	P28482	MAP kinase ERK2	98.06%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.23%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.25%	94.45%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	92.70%	96.77%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.24%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.55%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.13%	89.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.81%	89.62%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.56%	85.14%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	84.05%	80.96%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.96%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.76%	100.00%
CHEMBL2581	P07339	Cathepsin D	82.68%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.55%	86.33%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	82.02%	96.11%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	80.83%	90.24%

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.

Amaryllis belladonna

Narcissus poeticus subsp. radiiflorus

Pancratium canariense

Pancratium sickenbergeri