(3S,4S,6S,6aR,10S,12R,15R,15aR,15bR)-6,12-dihydroxy-3-[(4-methoxyphenyl)methyl]-4,10,12-trimethyl-5-methylidene-1-oxo-2H,3H,4H,6H,6aH,9H,10H,11H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate
AlkaPlorer ID: AK330271
Synonym: None
IUPAC Name: [(1R,2R,3Z,5R,7S,9Z,11R,12S,14S,15R,16S)-5,12-dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=C(OC)C=C3)N=C(O)[C@]23[C@H](OC(C)=O)/C=C\[C@](C)(O)C[C@@H](C)C/C=C\[C@H]3[C@@H]1O
InChI: InChI=1S/C31H41NO6/c1-18-8-7-9-24-28(34)20(3)19(2)27-25(16-22-10-12-23(37-6)13-11-22)32-29(35)31(24,27)26(38-21(4)33)14-15-30(5,36)17-18/h7,9-15,18-19,24-28,34,36H,3,8,16-17H2,1-2,4-6H3,(H,32,35)/b9-7-,15-14-/t18-,19+,24-,25-,26+,27-,28+,30-,31+/m0/s1
InChIKey: AECZOENDDUTONS-GWOQVDQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyricularia grisea | Pyricularia | Pyriculariaceae | Magnaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 523.6700000000003
TPSA？: 108.58
MolLogP？: 4.587000000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|