Platyphylline

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	ed41eb46-c5da-4c4b-a197-b61c965461fd
Taxonomy	Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name	(1R,4Z,6R,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
SMILES (Canonical)	CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
SMILES (Isomeric)	C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI	InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1
InChI Key	BTHCJHQOYFUIMG-REYNEDSXSA-N
Popularity	17 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₈H₂₇NO₅
Molecular Weight	337.40 g/mol
Exact Mass	337.18892296 g/mol
Topological Polar Surface Area (TPSA)	76.10 Å²
XlogP	1.90

Synonyms

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480-78-4

Platiphillin

Platiphyllin

A91172AJBY

EINECS 207-558-6

(1R,4Z,6R,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

(1-alpha)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione

Senecionan-11,16-dione, 1,2-dihydro-12-hydroxy-, (1-alpha)-

UNII-A91172AJBY

PLATYPHYLLINE [MI]

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.52%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.89%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.73%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.11%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.32%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.11%	97.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.21%	94.45%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	84.19%	93.03%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.68%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.53%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.18%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.86%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.57%	96.09%
CHEMBL340	P08684	Cytochrome P450 3A4	81.22%	91.19%

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.

Adenostyles alliariae

Caucasalia macrophylla

Cynoglossum officinale