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CAS 106518-61-0 Ganoderiol A molecular structure lightbox
CAS RN: 106518-61-0

Ganoderiol A

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Batchno.20250709 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS106518-61-0
  • Purity/Analytical Methods: >99.0%
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106518-61-0 / (3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,2,3-triol

5alpha-Lanosta-7,9(11)-diene-3beta,24,25,26-tetraol

Standard CAS: 106518-61-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106518-61-0
Multi CAS
Yes
Molecular Formula
C30H50O4
Molecular Weight
474.700000
Exact Mass
474.370910
SMILES
C[C@H](CC[C@@H](C(C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,24+,25+,27-,28-,29+,30?/m1/s1
InChIKey
VMEFPSOTFFVAQJ-OBGNTNONSA-N
Synonyms
5alpha-Lanosta-7,9(11)-diene-3beta,24,25,26-tetraol

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.87
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
137.07
TPSA
80.92

LogP / Solubility

WLOGP
5.39
MLOGP
4.78
XLogP3
5.1
Consensus LogP
5.09
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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