None
AlkaPlorer ID: AK324652
Synonym: None
IUPAC Name: (1S,4E,6S,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23OC(=O)/C=C/[C@@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22+,23+,24+,26+,27-,29-/m1/s1
InChIKey: GBOGMAARMMDZGR-IYKJBVLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daldinia concentrica | Daldinia | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 479.61700000000025
TPSA？: 99.35
MolLogP？: 4.332400000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HUVEC | IC50 | 200.0 | nM | 10.1021/acs.jnatprod.7b00976 |
| Rattus norvegicus | 3Y1 cell line | Activity | nan | None | 10.1021/acs.jnatprod.8b00101 |