SCS-C006490
lanosta-7,9(11),24-trien-3β-acetyloxy-26-ol
Pathway: Terpenoids
Superclass: Triterpenoids
Class: Lanostane, Tirucallane and Euphane triterpenoids
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Ganoderma luteomarginatum
(NA)
Original source name: Ganoderma luteomarginatum | G. luteomarginatum
Kingdom
Fungi
Phylum
Basidiomycota
Class
Agaricomycetes
Order
Polyporales
Family
Polyporaceae
Genus
Ganoderma
Species
Ganoderma luteomarginatum
South China Sea
DOI:
10.3390/molecules27206989
· Molecules
Drug-likeness (Lipinski Ro5)
Molecular Weight
482.7 Da
Threshold ≤ 500
ALogP
7.80
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
3
Threshold ≤ 10
1 violation (ALogP) — borderline drug-like
Chemical Properties
Molecular Formula:
C32H50O3
Molecular Weight:
482.7490 Da
SMILES:
CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)CO)CC[C@@]4(C)C3=CC[C@H]2C1(C)C
InChIKey:
XZPGUQWQPJEACY-UIAQYYJJSA-N
InChI:
InChI=1S/C32H50O3/c1-21(20-33)10-9-11-22(2)24-14-18-32(8)26-12-13-27-29(4,5)28(35-23(3)34)16-17-30(27,6)25(26)15-19-31(24,32)7/h10,12,15,22,24,27-28,33H,9,11,13-14,16-20H2,1-8H3/b21-10+/t22-,24-,27+,28+,30-,31-,32+/m1/s1
Calculated Properties
ALogP:
7.798 lipophilicity
TPSA:
46.53 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
3
Rotatable Bonds:
6
Ring Count:
4
(0 aromatic)
Chiral Centers:
7
Fsp³:
0.7812 fraction sp³ carbon
Database Information
Compound ID:
SCS-C006490
NPClassifier Pathway:
Terpenoids
NPClassifier Superclass:
Triterpenoids
NPClassifier Class:
Lanostane, Tirucallane and Euphane triterpenoids
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.