Nodulisporic Acid E Methyl Ester
AlkaPlorer ID: AK322398
Synonym: None
IUPAC Name: methyl 5-[17-hydroxy-16,20-dimethyl-6,7-bis(3-methylbut-2-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4(9),5,7-tetraen-16-yl]-2-methylpent-2-enoate
Structure
SMILES: COC(=O)C(C)=CCCC1(C)C(O)CCC2(C)C3C4=C(CC3CCC12)C1=CC(CC=C(C)C)=C(CC=C(C)C)C=C1N4
InChI: InChI=1S/C38H53NO3/c1-23(2)11-13-26-20-29-30-21-28-15-16-32-37(6,18-9-10-25(5)36(41)42-8)33(40)17-19-38(32,7)34(28)35(30)39-31(29)22-27(26)14-12-24(3)4/h10-12,20,22,28,32-34,39-40H,9,13-19,21H2,1-8H3
InChIKey: GVTNUENKWZJLQE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 571.8460000000003
TPSA？: 62.32
MolLogP？: 8.918000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|