(4R,7R,10S,13S,17R,19S)-4-(4-hydroxyphenyl)-7-{[(4R)-4-methoxy-2-oxo-1H-3,1-benzoxazin-4-yl]methyl}-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadecane-2,6,9,12,16-pentone
AlkaPlorer ID: AK099140
Synonym: None
IUPAC Name: (4R,7R,10S,13S,17R,19S)-4-(4-hydroxyphenyl)-7-[(4-methoxy-2-oxo-1H-3,1-benzoxazin-4-yl)methyl]-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadecane-2,6,9,12,16-pentone
Structure
SMILES: C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC2(OC)OC(=O)NC3=CC=CC=C32)C(=O)N[C@@H](C2=CC=C(O)C=C2)CC(=O)O[C@@H](C)C[C@@H](C)C1=O
InChI: InChI=1S/C37H46N4O10/c1-20-16-22(3)33(45)38-24(5)35(47)41(6)30(19-37(49-7)27-10-8-9-11-28(27)40-36(48)51-37)34(46)39-29(25-12-14-26(42)15-13-25)18-31(43)50-23(4)17-21(2)32(20)44/h8-15,21-24,29-30,42H,1,16-19H2,2-7H3,(H,38,45)(H,39,46)(H,40,48)/t21-,22+,23+,24+,29-,30-,37?/m1/s1
InChIKey: RQLWSJMGPWEQKG-YOGDKXMMSA-N
Reference
The enduracidin biosynthetic gene cluster from Streptomyces fungicidicus
PubChem CID: 46907536
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 706.793
TPSA？: 189.67
MolLogP？: 3.845900000000002
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | GI50 | None | None | 10.1021/jm9013554 |
| Homo sapiens | HeLa | Activity | None | None | 10.1021/jm9013554 |
| Homo sapiens | MCF7 | GI50 | None | None | 10.1021/jm9013554 |