cyclo[Ile-Phe-Tyr-Leu-Pro-Leu-Pro]
AlkaPlorer ID: AK122630
Synonym: None
IUPAC Name: (3S,6S,12S,15S,18S,21S,24S)-18-benzyl-21-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-3,12-bis(2-methylpropyl)-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C46H65N7O8/c1-7-29(6)39-44(59)48-34(25-30-13-9-8-10-14-30)40(55)47-33(26-31-17-19-32(54)20-18-31)41(56)49-35(23-27(2)3)45(60)52-21-11-15-37(52)42(57)50-36(24-28(4)5)46(61)53-22-12-16-38(53)43(58)51-39/h8-10,13-14,17-20,27-29,33-39,54H,7,11-12,15-16,21-26H2,1-6H3,(H,47,55)(H,48,59)(H,49,56)(H,50,57)(H,51,58)/t29-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey: CDTHMULYPSEFAZ-ZAMDTIOZSA-N
Reference
New phenoxazinone-related alkaloids from strain Streptomyces sp. KIB-H1318
PubChem CID: 118720592
NPASS: NPC489624
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reniochalina stalagmitis | Reniochalina | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 844.0670000000002
TPSA？: 223.8
MolLogP？: 6.936800000000007
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | HepG2 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | MGC-803 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | RPMI-8226 | Inhibition | None | % | 10.1021/np5006778 |
| None | NON-PROTEIN TARGET | Inhibition | None | % | 10.1021/np5006778 |