Verticilide A3
AlkaPlorer ID: AK326098
Synonym: None
IUPAC Name: (3S,9R,15S,21R)-6-heptyl-3,4,9,10,15,16,21,22-octamethyl-12,18,24-tripentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Structure
SMILES: CCCCCCCC1OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C1=O
InChI: InChI=1S/C46H80N4O12/c1-13-17-21-22-26-30-38-42(54)50(12)33(7)45(57)61-36(28-24-19-15-3)40(52)48(10)31(5)43(55)59-35(27-23-18-14-2)39(51)47(9)32(6)44(56)60-37(29-25-20-16-4)41(53)49(11)34(8)46(58)62-38/h31-38H,13-30H2,1-12H3/t31-,32+,33+,34-,35?,36?,37?,38?/m1/s1
InChIKey: KZFLZAJZRKYSKL-YDMISYQBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verticillium sp. | Verticillium | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 881.1619999999999
TPSA？: 186.44
MolLogP？: 6.1362000000000085
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|