(+)-Paulownin

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	78e4bb4d-7b94-467c-8f33-f536ace246f4
Taxonomy	Lignans, neolignans and related compounds > Furanoid lignans
IUPAC Name	3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
SMILES (Canonical)	C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
SMILES (Isomeric)	C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
InChI	InChI=1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2
InChI Key	CAQZFLPWHBKTTR-UHFFFAOYSA-N
Popularity	0 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₀H₁₈O₇
Molecular Weight	370.40 g/mol
Exact Mass	370.10525291 g/mol
Topological Polar Surface Area (TPSA)	75.60 Å²
XlogP	1.60

Synonyms

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SCHEMBL10037549

BCP18483

B0005-189995

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	98.73%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.77%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.19%	94.45%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	87.01%	96.77%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.65%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.02%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.78%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.19%	100.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.14%	92.62%
CHEMBL1951	P21397	Monoamine oxidase A	84.91%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.63%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.09%	85.14%
CHEMBL230	P35354	Cyclooxygenase-2	82.94%	89.63%
CHEMBL2581	P07339	Cathepsin D	81.93%	98.95%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	80.27%	80.96%

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.

Amanoa oblongifolia

Cleistanthus collinus

Stereospermum acuminatissimum