SCS-C008243

rishirilide B

Chemical Structure

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Source Information

Micromonospora sp. SCSIO 07396 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Micromonosporales Family Micromonosporaceae Genus Micromonospora Species NA

South China Sea

DOI: 10.1021/acs.jnatprod.6c00037 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

372.4 Da

Threshold ≤ 500

ALogP

2.82

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C21H24O6

Molecular Weight:

372.4170 Da

SMILES:

CC(C)CC[C@@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@@H](C)[C@]1(O)C(=O)O

InChIKey:

                        QUASHMJEJFFXLB-YFMVFKIRSA-N
                        
                    

InChI:

InChI=1S/C21H24O6/c1-11(2)7-8-20(26)16-10-14-13(5-4-6-17(14)22)9-15(16)18(23)12(3)21(20,27)19(24)25/h4-6,9-12,22,26-27H,7-8H2,1-3H3,(H,24,25)/t12-,20-,21+/m1/s1

Calculated Properties

ALogP:

2.817 lipophilicity

TPSA:

115.06 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.4286 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008243

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

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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