Alveolaride A
AlkaPlorer ID: AK111640
Synonym: None
IUPAC Name: 3-[(4S,7S,10S,13R)-10-[3-(3,6-dihydroxyhexan-2-ylamino)-3-oxopropyl]-17-dodecan-2-yl-16-hydroxy-13-(hydroxymethyl)-2,6,9,12,15-pentaoxo-4-phenyl-1-oxa-5,8,11,14-tetrazacycloheptadec-7-yl]propanamide
Structure
SMILES: CCCCCCCCCCC(C)C1OC(=O)C[C@@H](C2=CC=CC=C2)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCC(O)=NC(C)C(O)CCCO)N=C(O)[C@@H](CO)N=C(O)C1O
InChI: InChI=1S/C43H70N6O12/c1-4-5-6-7-8-9-10-12-16-27(2)39-38(56)43(60)49-33(26-51)42(59)47-31(21-23-36(54)45-28(3)34(52)19-15-24-50)40(57)46-30(20-22-35(44)53)41(58)48-32(25-37(55)61-39)29-17-13-11-14-18-29/h11,13-14,17-18,27-28,30-34,38-39,50-52,56H,4-10,12,15-16,19-26H2,1-3H3,(H2,44,53)(H,45,54)(H,46,57)(H,47,59)(H,48,58)(H,49,60)/t27?,28?,30-,31-,32-,33+,34?,38?,39?/m0/s1
InChIKey: TWPIBNJUDNTFRG-MIGBVBJUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microascus alveolaris | Microascus | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 863.063
TPSA？: 314.25
MolLogP？: 6.069170000000006
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|