Compound ID | 2337

Update compound information

8-deacetylcyclocalopin B

Class: Natural product antibiotic

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus
Description: Natural product from Caloboletus radicans; no activity against prostate cancer cell line PC3 and liver hepatoblastoma cell line HepG2 at 100 uM (highest concentration tested) vs 16 ug/ml MIC; cyclocalopin analogues reported
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 340.37
Iso. SMILES: C[C@@H]1COC(=O)[C@@H]2[C@H]1[C@]3(CC=C([C@@H]([C@H]3OC(=O)C)O)C)[C@](O2)(C)O
InChI Key: YCSRFLMEGDYMGX-DSFMCHPJSA-N
Can. SMILES: CC1=CC[C@]2([C@H]3[C@H](C)COC(=O)[C@H]3O[C@@]2(C)O)[C@@H]([C@H]1O)OC(=O)C
InChI: InChI=1S/C17H24O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11-14,19,21H,6-7H2,1-4H3/t9-,11+,12+,13+,14-,16-,17+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/139589908
Citation: https://pubs.acs.org/doi/10.1021/acs.jnatprod.7b00525

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