Beauvenniatin A
AlkaPlorer ID: AK039751
Synonym: None
IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI: InChI=1S/C41H57N3O9/c1-24(2)32-41(50)53-34(26(5)6)37(46)43(10)30(22-28-18-14-12-15-19-28)39(48)51-33(25(3)4)36(45)42(9)31(23-29-20-16-13-17-21-29)40(49)52-35(27(7)8)38(47)44(32)11/h12-21,24-27,30-35H,22-23H2,1-11H3/t30-,31-,32-,33+,34+,35+/m0/s1
InChIKey: DUOXILOCBMQICJ-DULUVLRMSA-N
Reference
Cyclohexadepsipeptides from Acremonium sp. BCC 28424
PubChem CID: 54768788
LOTUS: LTS0197855
{NPAtlas: NPA002001
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 735.9190000000001
TPSA？: 139.83000000000004
MolLogP？: 4.325800000000004
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|