SCS-C004959

eutypellol B

Pathway: Terpenoids Superclass: Monoterpenoids Class: Carane monoterpenoids

Chemical Structure

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Source Information

Peroneutypa scoparia (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Xylariales Family Diatrypaceae Genus Peroneutypa Species Peroneutypa scoparia

South China Sea

DOI: 10.1080/14786419.2016.1169418 · Natural Product Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

152.2 Da

Threshold ≤ 500

ALogP

1.97

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H16O

Molecular Weight:

152.2370 Da

SMILES:

CC1=C[C@H]2[C@@H](CC1)[C@]2(C)CO

InChIKey:

                        XTKWHWITBUCBCZ-UTLUCORTSA-N
                        
                    

InChI:

InChI=1S/C10H16O/c1-7-3-4-8-9(5-7)10(8,2)6-11/h5,8-9,11H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1

Calculated Properties

ALogP:

1.971 lipophilicity

TPSA:

20.23 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.8000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004959

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Monoterpenoids

NPClassifier Class:

Carane monoterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD28817

Biological Activity Data

No bioactivity data available for this compound.

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