SCS-C004341

chartarlactam E

Pathway: Terpenoids Superclass: Meroterpenoids Class: Spriromeroterpenoids | Tetraketide meroterpenoids

Chemical Structure

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Source Information

Stachybotrys chartarum (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Stachybotryaceae Genus Stachybotrys Species Stachybotrys chartarum

Weizhou Island

DOI: 10.1021/np400824u · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

383.5 Da

Threshold ≤ 500

ALogP

3.75

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C23H29NO4

Molecular Weight:

383.4880 Da

SMILES:

C[C@@H]1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O

InChIKey:

                        KJEQWSSBBRHMKM-OQOGLVOPSA-N
                        
                    

InChI:

InChI=1S/C23H29NO4/c1-12-5-6-17-21(2,3)18(26)7-8-22(17,4)23(12)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17,25H,5-8,10-11H2,1-4H3,(H,24,27)/t12-,17+,22+,23-/m1/s1

Calculated Properties

ALogP:

3.751 lipophilicity

TPSA:

75.63 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (1 aromatic)

Chiral Centers:

Fsp³:

0.6522 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004341

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Meroterpenoids

NPClassifier Class:

Spriromeroterpenoids Tetraketide meroterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD24807

Biological Activity Data

No bioactivity data available for this compound.

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