SCS-C007600

Tricholichenone C

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

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Source Information

Trichobotrys effuse (NA)

Kingdom Fungi Phylum Ascomycota Class Dothideomycetes Order Pleosporales Family NA Genus Trichobotrys Species Trichobotrys effusa

South China Sea · 1428 m · 10°59.04′ E, 18°0.047′ N

DOI: 10.1002/cbdv.202301512 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

274.4 Da

Threshold ≤ 500

ALogP

3.88

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C17H22O3

Molecular Weight:

274.3600 Da

SMILES:

CCCc1cc(O)c(CC)c2oc(C)c(CC)c(=O)c12

InChIKey:

                        KCUHYBCTPAHXPL-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C17H22O3/c1-5-8-11-9-14(18)13(7-3)17-15(11)16(19)12(6-2)10(4)20-17/h9,18H,5-8H2,1-4H3

Calculated Properties

ALogP:

3.884 lipophilicity

TPSA:

50.44 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.4706 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007600

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Chromones

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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