Haemanthamine

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	42fd0836-0bc8-4d7a-b66e-3bd2b29325bc
Taxonomy	Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids
IUPAC Name	(1S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
SMILES (Canonical)	COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O
SMILES (Isomeric)	CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2CC4=CC5=C(C=C34)OCO5)O
InChI	InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1
InChI Key	YGPRSGKVLATIHT-HSHDSVGOSA-N
Popularity	39 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₇H₁₉NO₄
Molecular Weight	301.34 g/mol
Exact Mass	301.13140809 g/mol
Topological Polar Surface Area (TPSA)	51.20 Å²
XlogP	1.30

Synonyms

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Haemanthamin

466-75-1

3-Epicrinamine

(+)-Haemanthamine

Hemanthamine

Hemeanthamin

Natalensin

NSC403140

Natalensine

CHEBI:5600

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
CHEMBL4040	P28482	MAP kinase ERK2	6.3 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	98.01%	96.77%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.41%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.34%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.21%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.73%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.25%	86.33%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.08%	92.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.41%	92.94%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	82.66%	80.96%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.39%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.12%	95.89%
CHEMBL4208	P20618	Proteasome component C5	82.03%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.01%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.67%	85.14%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	81.56%	82.67%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.89%	90.71%

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.

Crinum asiaticum

Crinum glaucum

Cyrtanthus elatus

Habranthus brachyandrus

Hippeastrum morelianum

Hippeastrum papilio

Hippeastrum puniceum

Hymenocallis littoralis

Hymenocallis rotata

Narcissus confusus

Narcissus cuneiflorus

Narcissus obesus