CAS RN: 185145-34-0
Chrysin 6-C-glucoside 8-C-arabinoside
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260430 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS185145-34-0
- Purity/Analytical Methods: >99.0%
185145-34-0 / 5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Basic Information
CAS
185145-34-0
Multi CAS
No
Molecular Formula
C26H28O13
Molecular Weight
548.500000
Exact Mass
548.152991
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=CC=C5)O)O)O
InChI
InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)15-19(32)14-10(28)6-12(9-4-2-1-3-5-9)38-24(14)16(20(15)33)25-22(35)17(30)11(29)8-37-25/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKey
ZGVGUTOTMNVHSX-VYUBKLCTSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
13
H-bond donors
9
Molar refractivity
130.68
TPSA
230.74
LogP / Solubility
WLOGP
-1.46
MLOGP
-1.24
XLogP3
-1.8
Consensus LogP
-1.5
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.49
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)
-7.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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