SCS-C000193

chondrosterin F

Pathway: Terpenoids Superclass: Sesquiterpenoids Class: Hirsutane sesquiterpenoids

Chemical Structure

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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Chondrostereum sp. (NA)

Kingdom Fungi Phylum Basidiomycota Class Agaricomycetes Order Agaricales Family Cyphellaceae Genus Chondrostereum Species NA

South China Sea

DOI: 10.3390/md11020551 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

262.3 Da

Threshold ≤ 500

ALogP

1.82

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H18O4

Molecular Weight:

262.3000 Da

SMILES:

CC1(C)CC2=C(C(=O)O[C@H]3CC(=O)C(C)(C)[C@@H]23)C1=O

InChIKey:

                        YPJVNNBPZVIFLM-KWQFWETISA-N
                        
                    

InChI:

InChI=1S/C15H18O4/c1-14(2)6-7-10(12(14)17)13(18)19-8-5-9(16)15(3,4)11(7)8/h8,11H,5-6H2,1-4H3/t8-,11-/m0/s1

Calculated Properties

ALogP:

1.823 lipophilicity

TPSA:

60.44 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.6667 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000193

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesquiterpenoids

NPClassifier Class:

Hirsutane sesquiterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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