Naphthomycin E
AlkaPlorer ID: AK041420
Synonym: 'Naphthomycin'
IUPAC Name: (7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
Structure
SMILES: C/C1=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)C2=C(O)C(C)=CC3=C2C(=O)C=C(N=C1O)C3=O
InChI: InChI=1S/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9+,16-14+,22-13+,24-12-,26-17+/t21-,23-,25-,28-,31-,36-/m0/s1
InChIKey: IFFKOSSIDVBUOW-RFMJUQBQSA-N
Reference
New secondary metabolites from an engineering mutant of endophytic Streptomyces sp. CS
PubChem CID: 21768222
LOTUS: LTS0003874
SuperNatural Ⅲ: SN0144046-03
NPASS: NPC288066
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. CS | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 685.8140000000001
TPSA？: 181.79
MolLogP？: 5.964120000000008
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Fusarium oxysporum | Fusarium oxysporum | Activity | None | None | 10.1021/np300109s |
| Fusarium verticillioides | Fusarium verticillioides | Activity | None | None | 10.1021/np300109s |
| Homo sapiens | A549 | GI | None | None | 10.1021/np300109s |
| Homo sapiens | HL-60 | GI | None | None | 10.1021/np300109s |
| Homo sapiens | MCF7 | GI | None | None | 10.1021/np300109s |
| Homo sapiens | SMMC-7721 | GI | None | None | 10.1021/np300109s |
| Homo sapiens | SW480 | GI | None | None | 10.1021/np300109s |
| Pyricularia oryzae | Pyricularia oryzae | Activity | None | None | 10.1021/np300109s |
| None | Molecular identity unknown | Activity | None | None | 10.1021/np300109s |