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CAS 144606-83-7 Schisanlignone C molecular structure lightbox
CAS RN: 144606-83-7

Schisanlignone C

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS144606-83-7
  • Purity/Analytical Methods: >99.0%
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144606-83-7 / 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-one

Standard CAS: 144606-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144606-83-7
Multi CAS
No
Molecular Formula
C23H26O7
Molecular Weight
414.400000
Exact Mass
414.167853
SMILES
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(=O)C1C)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C23H26O7/c1-11-7-13-8-16-21(30-10-29-16)22(27-5)17(13)18-14(19(24)12(11)2)9-15(25-3)20(26-4)23(18)28-6/h8-9,11-12H,7,10H2,1-6H3/t11-,12-/m1/s1
InChIKey
IGSKKMAOJMXOII-VXGBXAGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
110.57
TPSA
72.45

LogP / Solubility

WLOGP
4.13
MLOGP
3.66
XLogP3
4.4
Consensus LogP
4.06
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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