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CAS 143236-02-6 (-)-Lyoniresinol 9′-O-glucoside molecular structure lightbox
CAS RN: 143236-02-6

(-)-Lyoniresinol 9′-O-glucoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS143236-02-6
  • Purity/Analytical Methods: >99.0%
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143236-02-6 / (2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 143236-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143236-02-6
Multi CAS
No
Molecular Formula
C28H38O13
Molecular Weight
582.600000
Exact Mass
582.231241
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]([C@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m1/s1
InChIKey
PQQRNPDHSJDAGV-UGJKOEBBSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
10
H-bond acceptors
13
H-bond donors
7
Molar refractivity
141.75
TPSA
196.99

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.08
XLogP3
0.4
Consensus LogP
0.06
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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