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CAS 104691-86-3 8-PRENYLGENISTEIN molecular structure lightbox
CAS RN: 104691-86-3

8-PRENYLGENISTEIN

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 100mg In stock Shanghai Inquiry
Batchno.20250204 10mg In stock Shanghai Inquiry
Batchno.20250504 1mg In stock Shanghai Inquiry
Batchno.20250315 25mg In stock Shanghai Inquiry
Batchno.20260122 50mg In stock Shanghai Inquiry
Batchno.20250407 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS104691-86-3
  • Purity/Analytical Methods: >99.0%
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104691-86-3 / 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Lupiwighteone | 5,7,4'-Trihydroxy-8-prenylisoflavone | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 104691-86-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104691-86-3
Multi CAS
Yes
Molecular Formula
C20H18O5
Molecular Weight
338.400000
Exact Mass
338.115424
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
InChIKey
YGCCASGFIOIXIN-UHFFFAOYSA-N
Synonyms
Lupiwighteone 5,7,4'-Trihydroxy-8-prenylisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one S5W46B3BUM DTXSID601132953

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.05
TPSA
90.9

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
4.6
Consensus LogP
4.1
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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)
-1.88

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
2.5

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