chondramide A
AlkaPlorer ID: AK020320
Synonym: '', 'Chondramide A'
IUPAC Name: (3S,4S,7R,10S,13S,15E,17R,18R)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-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=CNC3=CC=CC=C23)C(O)=N[C@H]1C1=CC=C(O)C=C1
InChI: InChI=1S/C36H46N4O7/c1-20-16-21(2)24(5)47-36(45)32(46-7)31(25-12-14-27(41)15-13-25)39-34(43)30(18-26-19-37-29-11-9-8-10-28(26)29)40(6)35(44)23(4)38-33(42)22(3)17-20/h8-16,19,21-24,30-32,37,41H,17-18H2,1-7H3,(H,38,42)(H,39,43)/b20-16+/t21-,22+,23+,24-,30-,31+,32+/m1/s1
InChIKey: IEKCRWAFVYJECW-XYDQKOHOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondromyces crocatus | Chondromyces | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 646.7850000000002
TPSA？: 157.04
MolLogP？: 5.854700000000005
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 | Actin | Activity | nan | None | 10.1021/np400196w |
| Toxoplasma gondii | Toxoplasma gondii | EC50 | 560.0 | nM | 10.1021/np400196w |