Kobophenol A

Category	SARS-CoV
CAS	124027-58-3
Description	Kobophenol A is a natural product found in Caragana korshinskii and Carex folliculata. Kobophenol A blocks the interaction between the ACE2 receptor and S1-RBD with an IC50 of 1.81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC50 of 71.6 μM. It inhibits the activity of partially purified rat brain protein kinase C (PKC) with an IC50 of 52 μM.

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Synonyms	(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)[3,4'-bibenzofuran]-6,6'-diol
IUPAC Name	5-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
Molecular Weight	924.94
Molecular Formula	C56H44O13
Canonical SMILES	C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O
InChI	InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56-/m1/s1
InChIKey	RAUCCLKIJHMTND-LUPMIFTGSA-N
Purity	≥95%
Density	1.497±0.06 g/cm3 at 20°C, 760 Torr
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance	Powder
Storage	Store at 2-8°C, sealed storage, away from moisture and light
Complexity	1640
Exact Mass	924.27819145
PSA	229.99000
Target	SARS-CoV; PKC
XLogP3-AA	8.8