methyl (2E,4E)-5-[7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-(prop-1-en-2-yl)-21-oxa-1-azaoctacyclo[13.13.1.0²,¹?.0³,¹².0?,?.0¹?,²?.0¹?,²³.0²?,²?]nonacosa-2(14),15(29),16,18,25-pentaen-8-yl]-2-methylpenta-2,4-dienoate
AlkaPlorer ID: AK321974
Synonym: None
IUPAC Name: methyl 5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoate
Structure
SMILES: C=C(C)C1CC2=C3C(=CC4=C2N1C1=C4CC2CCC4C(C)(C=CC=C(C)C(=O)OC)C(O)CCC4(C)C12C)C1=CC(C)(C)OC(C)(C)C1C3O
InChI: InChI=1S/C44H57NO5/c1-23(2)31-21-29-34-26(30-22-40(4,5)50-41(6,7)35(30)37(34)47)20-27-28-19-25-14-15-32-42(8,17-12-13-24(3)39(48)49-11)33(46)16-18-43(32,9)44(25,10)38(28)45(31)36(27)29/h12-13,17,20,22,25,31-33,35,37,46-47H,1,14-16,18-19,21H2,2-11H3
InChIKey: GSYZKWDOYZOUJB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodulisporium sp. | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Nodulisporium | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 679.9420000000002
TPSA？: 80.92
MolLogP？: 8.631400000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|