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CAS 188785-44-6 8-Glucosyl-5,7-dihydroxy-2-isopropylchromone molecular structure lightbox
CAS RN: 188785-44-6

8-Glucosyl-5,7-dihydroxy-2-isopropylchromone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS188785-44-6
  • Purity/Analytical Methods: >99.0%
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188785-44-6 / 5,7-dihydroxy-2-propan-2-yl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Standard CAS: 188785-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188785-44-6
Multi CAS
No
Molecular Formula
C18H22O9
Molecular Weight
382.400000
Exact Mass
382.126382
SMILES
CC(C)C1=CC(=O)C2=C(O1)C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C18H22O9/c1-6(2)10-4-9(22)12-7(20)3-8(21)13(17(12)26-10)18-16(25)15(24)14(23)11(5-19)27-18/h3-4,6,11,14-16,18-21,23-25H,5H2,1-2H3/t11-,14-,15+,16-,18+/m1/s1
InChIKey
GFMIWSFTWTWABA-FMBSHMROSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
6
Molar refractivity
92.62
TPSA
160.82

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.12
XLogP3
0.1
Consensus LogP
-0.06
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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