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CAS 14982-11-7 Homoeriodictyol 7-O-glucoside molecular structure lightbox
CAS RN: 14982-11-7

Homoeriodictyol 7-O-glucoside

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2 package records0 with current stock1 grade group
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Batchno.20260228 5mg Out of stock Inquiry
Batchno.20251116 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS14982-11-7
  • Purity/Analytical Methods: >99.0%
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14982-11-7 / (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Standard CAS: 14982-11-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14982-11-7
Multi CAS
No
Molecular Formula
C22H24O11
Molecular Weight
464.400000
Exact Mass
464.131862
SMILES
COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H24O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1
InChIKey
KZQCCKUDYVSOLC-YMTXFHFDSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
109.48
TPSA
175.37

LogP / Solubility

WLOGP
-0.01
MLOGP
0.02
XLogP3
0.6
Consensus LogP
0.2
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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