Minumicrolin

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	38b15f00-787a-4402-b291-a3710cb77355
Taxonomy	Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name	8-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI	InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14-/m0/s1
InChI Key	DKEANOQWICTXTP-KBPBESRZSA-N
Popularity	17 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₁₆O₅
Molecular Weight	276.28 g/mol
Exact Mass	276.09977361 g/mol
Topological Polar Surface Area (TPSA)	76.00 Å²
XlogP	1.60

Synonyms

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Murpanidin

88546-96-7

(+)-Murpanidin

2H-1-Benzopyran-2-one, 8-((1S,2S)-1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-

13R570833L

UNII-13R570833L

8-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one

2H-1-Benzopyran-2-one, 8-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-, (S-(R*,R*))-

8-((1S,2S)-1,2-Dihydroxy-3-methyl-3-buten-1-yl)-7-methoxy-2H-1-benzopyran-2-one

8-((1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.00%	85.14%
CHEMBL1255126	O15151	Protein Mdm4	92.40%	90.20%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.23%	94.00%
CHEMBL2581	P07339	Cathepsin D	90.13%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.69%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.57%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.38%	99.23%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.19%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.87%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.86%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.81%	86.33%
CHEMBL2535	P11166	Glucose transporter	82.11%	98.75%

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.