CAS RN: 1107620-67-6
Garcinexanthone A
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251006 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1107620-67-6
- Purity/Analytical Methods: >99.0%
1107620-67-6 / 7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
Garcinexanthone A | 7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one | 3,4-Dihydro-7,10-dihydroxy-12-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
Basic Information
CAS
1107620-67-6
Multi CAS
No
Molecular Formula
C19H18O6
Molecular Weight
342.300000
Exact Mass
342.110338
SMILES
CC1(CCC2=CC3=C(C(=C2O1)OC)OC4=C(C=CC(=C4C3=O)O)O)C
InChI
InChI=1S/C19H18O6/c1-19(2)7-6-9-8-10-14(22)13-11(20)4-5-12(21)17(13)24-16(10)18(23-3)15(9)25-19/h4-5,8,20-21H,6-7H2,1-3H3
InChIKey
AWSPLWUUTQJIOF-UHFFFAOYSA-N
Synonyms
Garcinexanthone A
7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
3,4-Dihydro-7,10-dihydroxy-12-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
orb1682520
AKOS032961690
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.9
TPSA
89.13
LogP / Solubility
WLOGP
3.47
MLOGP
3.07
XLogP3
3.8
Consensus LogP
3.45
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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