CAS RN: 142299-73-8

Teuvincene H

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  • Product code: starshine_CAS142299-73-8
  • Purity/Analytical Methods: >99.0%
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142299-73-8 / (11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-3,6-dione

Standard CAS: 142299-73-8 Multi CAS: No

Basic Information

CAS
142299-73-8
Multi CAS
No
Molecular Formula
C20H20O6
Molecular Weight
356.400000
Exact Mass
356.125988
SMILES
CC1=CC2=C(C3=C(C(=C2O1)O)[C@]4(CCC(=O)C(C4=C(C3=O)O)(C)C)C)O
InChI
InChI=1S/C20H20O6/c1-8-7-9-13(22)11-12(15(24)17(9)26-8)20(4)6-5-10(21)19(2,3)18(20)16(25)14(11)23/h7,22,24-25H,5-6H2,1-4H3/t20-/m1/s1
InChIKey
HFFLVZDJWZPGCS-HXUWFJFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
93.64
TPSA
107.97

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.3
Consensus LogP
3.49
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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
Yes
Log Kp (skin permeation)
-2.19

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
3.5

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