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CAS 120462-48-8 Ganoderenic acid H molecular structure lightbox
CAS RN: 120462-48-8

Ganoderenic acid H

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Batchno.20251019 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS120462-48-8
  • Purity/Analytical Methods: >99.0%
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120462-48-8 / 6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid

Ganoderenic Acid H | AKOS040761762 | DA-53495

Standard CAS: 120462-48-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120462-48-8
Multi CAS
Yes
Molecular Formula
C30H40O7
Molecular Weight
512.600000
Exact Mass
512.277404
SMILES
CC(CC(=O)C=C(C)C1CC(=O)C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O
InChI
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)
InChIKey
SXBOKJLQZQAVPU-UHFFFAOYSA-N
Synonyms
Ganoderenic Acid H AKOS040761762 DA-53495

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
136.4
TPSA
125.81

LogP / Solubility

WLOGP
4.26
MLOGP
3.79
XLogP3
2.7
Consensus LogP
3.58
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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