methyl (2E,4E)-5-[7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-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: AK322164
Synonym: None
IUPAC Name: methyl 5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-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)C1C(=O)C2=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/C44H55NO6/c1-22(2)34-37(48)32-31-25(28-21-40(4,5)51-41(6,7)33(28)36(31)47)20-26-27-19-24-14-15-29-42(8,17-12-13-23(3)39(49)50-11)30(46)16-18-43(29,9)44(24,10)38(27)45(34)35(26)32/h12-13,17,20-21,24,29-30,33-34,36,46-47H,1,14-16,18-19H2,2-11H3
InChIKey: GXQVUYCPGXDGED-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: 693.9250000000002
TPSA？: 97.99
MolLogP？: 8.271600000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|