SCS-C004326

conidiogenone H

Pathway: Terpenoids Superclass: Diterpenoids Class: Tetracyclic diterpenoids

Chemical Structure

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Source Information

Penicillium chrysogenum (fungus)

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

Weizhou Island

DOI: 10.1002/cbdv.201000378 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

292.4 Da

Threshold ≤ 500

ALogP

2.54

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C18H28O3

Molecular Weight:

292.4190 Da

SMILES:

C[C@@H]1CC[C@]2(O)C[C@@]34[C@@H](C)[C@H](O)CC(=O)[C@]3(C)CC[C@H]4[C@H]12

InChIKey:

                        XPMDRPZFPBRXLT-IHJGYEBDSA-N
                        
                    

InChI:

InChI=1S/C18H28O3/c1-10-4-7-17(21)9-18-11(2)13(19)8-14(20)16(18,3)6-5-12(18)15(10)17/h10-13,15,19,21H,4-9H2,1-3H3/t10-,11+,12+,13-,15+,16+,17+,18+/m1/s1

Calculated Properties

ALogP:

2.540 lipophilicity

TPSA:

57.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (0 aromatic)

Chiral Centers:

Fsp³:

0.9444 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004326

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Tetracyclic diterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD20895

Biological Activity Data

No bioactivity data available for this compound.

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