chondramide B
AlkaPlorer ID: AK025431
Synonym: '', 'Chondramide B'
IUPAC Name: (3S,4S,7R,10S,13S,15E,17R,18R)-7-[(2-chloro-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Structure
SMILES: CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(O)=N[C@@H](C)C(=O)N(C)[C@H](CC2=C(Cl)NC3=CC=CC=C23)C(O)=N[C@H]1C1=CC=C(O)C=C1
InChI: InChI=1S/C36H45ClN4O7/c1-19-16-20(2)23(5)48-36(46)31(47-7)30(24-12-14-25(42)15-13-24)40-34(44)29(18-27-26-10-8-9-11-28(26)39-32(27)37)41(6)35(45)22(4)38-33(43)21(3)17-19/h8-16,20-23,29-31,39,42H,17-18H2,1-7H3,(H,38,43)(H,40,44)/b19-16+/t20-,21+,22+,23-,29-,30+,31+/m1/s1
InChIKey: SRZJEPUYAKAFIE-KCQCJHCESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondromyces crocatus | Chondromyces | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 681.2300000000002
TPSA？: 157.04
MolLogP？: 6.508100000000007
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HFF | Activity | nan | None | 10.1021/np400196w |
| Toxoplasma gondii | Toxoplasma gondii | EC50 | 220.0 | nM | 10.1021/np400196w |