CAS RN: 38602-52-7

Lasiodonin

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  • Product code: starshine_CAS38602-52-7
  • Purity/Analytical Methods: >99.0%
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38602-52-7 / 3,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Standard CAS: 38602-52-7 Multi CAS: Yes

Basic Information

CAS
38602-52-7
Multi CAS
Yes
Molecular Formula
C20H28O6
Molecular Weight
364.400000
Exact Mass
364.188589
InChI
InChI=1S/C20H28O6/c1-9-10-6-11(21)13-18-8-26-20(25,19(13,7-10)15(9)23)16(24)14(18)17(2,3)5-4-12(18)22/h10-14,16,21-22,24-25H,1,4-8H2,2-3H3
InChIKey
HLVWYILWVYNUAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.85
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.65
TPSA
107.22

LogP / Solubility

WLOGP
0.38
MLOGP
0.35
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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