(1S,6R,10R,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12-diene-3,22-dione
AlkaPlorer ID: AK319910
Synonym: None
IUPAC Name: (1S,4E,6R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione
Structure
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]32OC(=O)/C=C/[C@H](O)CCC1
InChI: InChI=1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8+,16-15+/t18-,19+,21-,22+,23+,25+,26+,28-,29-/m1/s1
InChIKey: CXWYFIYZAZBQGQ-QJMMVEIUSA-N
Reference
Putaminoxins D and E from phoma putaminum
PubChem CID: 21672263
CAS: 36084-18-1
LOTUS: LTS0128438
SuperNatural Ⅲ: SN0058583-09
NPASS: NPC308429
Source
Properties Information
Molecule Weight: 479.61700000000025
TPSA？: 91.65000000000002
MolLogP？: 4.572800000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Edwardsiella tarda | Edwardsiella tarda | MIC | 8.0 | ug.mL-1 | 10.1021/acs.jnatprod.1c00907 |