SCS-C004655

coniochaetone G

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

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Source Information

Penicillium oxalicum (deep-sea fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Penicillium Species Penicillium oxalicum

South China Sea

DOI: 10.1246/cl.140138 · Chem. Lett

Drug-likeness (Lipinski Ro5)

Molecular Weight

306.3 Da

Threshold ≤ 500

ALogP

0.30

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H14O7

Molecular Weight:

306.2700 Da

SMILES:

COC(=O)[C@]1(O)CCc2oc3cc(CO)cc(O)c3c(=O)c21

InChIKey:

                        LZUDAFJZTVIIHS-HNNXBMFYSA-N
                        
                    

InChI:

InChI=1S/C15H14O7/c1-21-14(19)15(20)3-2-9-12(15)13(18)11-8(17)4-7(6-16)5-10(11)22-9/h4-5,16-17,20H,2-3,6H2,1H3/t15-/m0/s1

Calculated Properties

ALogP:

0.298 lipophilicity

TPSA:

117.20 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.3333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004655

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 CMNPD: CMNPD24759

Biological Activity Data

No bioactivity data available for this compound.

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