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CAS 906794-56-7 Parvifolixanthone A molecular structure lightbox
CAS RN: 906794-56-7

Parvifolixanthone A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS906794-56-7
  • Purity/Analytical Methods: >99.0%
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906794-56-7 / 1,3,5,6-tetrahydroxy-2,4,7-tris(3-methylbut-2-enyl)xanthen-9-one

Standard CAS: 906794-56-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
906794-56-7
Multi CAS
No
Molecular Formula
C28H32O6
Molecular Weight
464.500000
Exact Mass
464.219889
InChI
InChI=1S/C28H32O6/c1-14(2)7-10-17-13-20-25(32)21-24(31)18(11-8-15(3)4)23(30)19(12-9-16(5)6)27(21)34-28(20)26(33)22(17)29/h7-9,13,29-31,33H,10-12H2,1-6H3
InChIKey
UVAAZIOBAWMBHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
136.05
TPSA
111.13

LogP / Solubility

WLOGP
6.29
MLOGP
5.57
XLogP3
7.9
Consensus LogP
6.59
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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