Cryptopleurine

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	4a4c873e-5fff-4705-bf8a-3bb83980b6f8
Taxonomy	Benzenoids > Phenanthrenes and derivatives > Phenanthroquinolizidines
IUPAC Name	(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
SMILES (Canonical)	COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
SMILES (Isomeric)	COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
InChI	InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
InChI Key	RSHYSOGXGSUUIJ-OAHLLOKOSA-N
Popularity	42 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₄H₂₇NO₃
Molecular Weight	377.50 g/mol
Exact Mass	377.19909372 g/mol
Topological Polar Surface Area (TPSA)	30.90 Å²
XlogP	5.10

Synonyms

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482-22-4

R-Cryptopleurine

CRYPTOPLEURINE (I)

(-)-Cryptopleurine

NSC19912

CHEBI:3932

(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine

UNII-3JZK58H75B

3JZK58H75B

NSC 19912

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
CHEMBL3438	Q05513	Protein kinase C zeta	95.76%	88.48%
CHEMBL2535	P11166	Glucose transporter	94.96%	98.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.85%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	94.41%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	94.09%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.17%	95.56%
CHEMBL5747	Q92793	CREB-binding protein	93.05%	95.12%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	92.78%	89.62%
CHEMBL5203	P33316	dUTP pyrophosphatase	91.97%	99.18%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	90.18%	90.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.70%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.54%	86.33%
CHEMBL264	Q9Y5N1	Histamine H3 receptor	87.27%	91.43%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.07%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	86.14%	93.31%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.02%	92.62%
CHEMBL4208	P20618	Proteasome component C5	85.94%	90.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.80%	93.99%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.83%	94.00%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	83.61%	91.79%
CHEMBL2581	P07339	Cathepsin D	83.22%	98.95%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	83.09%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.64%	94.45%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	82.53%	96.00%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	82.07%	95.53%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	80.67%	92.38%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	80.58%	96.47%
CHEMBL1871	P10275	Androgen Receptor	80.29%	96.43%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.24%	91.03%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	80.11%	92.67%

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.

Boehmeria cylindrica

Boehmeria dura

Cissus rheifolia

Cryptocarya pleurosperma