SCS-C006502

ganoderiol F

Pathway: Terpenoids Superclass: Triterpenoids Class: Lanostane, Tirucallane and Euphane triterpenoids

Chemical Structure

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Download: SDF SMILES

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

454.7 Da

Threshold ≤ 500

ALogP

6.41

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C30H46O3

Molecular Weight:

454.6950 Da

SMILES:

C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C

InChIKey:

                        JVGJXXNUVVQEIG-MCKXIFHVSA-N
                        
                    

InChI:

InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1

Calculated Properties

ALogP:

6.408 lipophilicity

TPSA:

57.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (0 aromatic)

Chiral Centers:

Fsp³:

0.7667 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006502

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Triterpenoids

NPClassifier Class:

Lanostane, Tirucallane and Euphane triterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Antitumor	IC50	K562 human cancer cell line	8.82 μg/mL	10.3390/molecules27206989 Molecules
Antitumor	IC50	BEL-7402 human cancer cell line	> 50.0 μg/mL	10.3390/molecules27206989 Molecules
Antitumor	IC50	SGC-7901 human cancer cell line	> 50.0 μg/mL	10.3390/molecules27206989 Molecules

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