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CAS 873061-79-1 Ganoderone A molecular structure lightbox
CAS RN: 873061-79-1

Ganoderone A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS873061-79-1
  • Purity/Analytical Methods: >99.0%
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873061-79-1 / (5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

Standard CAS: 873061-79-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873061-79-1
Multi CAS
Yes
Molecular Formula
C30H46O3
Molecular Weight
454.700000
Exact Mass
454.344695
InChI
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1
InChIKey
SDAWCNCFVWQZDP-GOUGDUPLSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
133.68
TPSA
54.37

LogP / Solubility

WLOGP
6.84
MLOGP
6.05
XLogP3
6.4
Consensus LogP
6.43
Log S (ESOL)
-6.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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