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CAS 101236-50-4 Kushenol L molecular structure lightbox
CAS RN: 101236-50-4

Kushenol L

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Batchno.20250414 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS101236-50-4
  • Purity/Analytical Methods: >99.0%
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101236-50-4 / (2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Kushenol L | (2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | RefChem:151551

Standard CAS: 101236-50-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101236-50-4
Multi CAS
Yes
Molecular Formula
C25H28O7
Molecular Weight
440.500000
Exact Mass
440.183503
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O7/c1-12(2)5-8-16-20(28)17(9-6-13(3)4)24-19(21(16)29)22(30)23(31)25(32-24)15-10-7-14(26)11-18(15)27/h5-7,10-11,23,25-29,31H,8-9H2,1-4H3/t23-,25+/m0/s1
InChIKey
GKENRJIRKFSNED-UKILVPOCSA-N
Synonyms
Kushenol L (2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one RefChem:151551 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6,8-bis(3-methyl-2-buten-1-yl)-, (2R,3R)- KushenolL

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
119.52
TPSA
127.45

LogP / Solubility

WLOGP
4.2
MLOGP
3.73
XLogP3
5.3
Consensus LogP
4.41
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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