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CAS 15648-86-9 Myricetin 3-O-galactoside molecular structure lightbox
CAS RN: 15648-86-9

Myricetin 3-O-galactoside

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 1mg In stock Inquiry
Batchno.20250807 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 1mg / 5mg / 25mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS15648-86-9
  • Purity/Analytical Methods: >99.0%
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15648-86-9 / 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Standard CAS: 15648-86-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15648-86-9
Multi CAS
No
Molecular Formula
C21H20O13
Molecular Weight
480.400000
Exact Mass
480.090391
SMILES
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1
InChIKey
FOHXFLPXBUAOJM-MGMURXEASA-N

Physical Properties

Melting Point
198 - 201 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
13
H-bond donors
9
Molar refractivity
110.64
TPSA
230.74

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.7
Consensus LogP
-0.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-6.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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