Exumolide A
AlkaPlorer ID: AK000758
Synonym: None
IUPAC Name: (3S,6S,12S,15S,18S,21S)-12,15-dibenzyl-19-methyl-3,18-bis(2-methylpropyl)-4-oxa-1,10,13,16,19-pentazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C41H55N5O7/c1-26(2)22-34-37(48)42-30(24-28-14-8-6-9-15-28)36(47)43-31(25-29-16-10-7-11-17-29)38(49)46-21-13-19-33(46)41(52)53-35(23-27(3)4)40(51)45-20-12-18-32(45)39(50)44(34)5/h6-11,14-17,26-27,30-35H,12-13,18-25H2,1-5H3,(H,42,48)(H,43,47)/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKey: GWGKNTICBPKKKW-LBBUGJAGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytalidium sp. | Scytalidium | None | None | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 729.9189999999996
TPSA？: 152.41
MolLogP？: 4.948600000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|