18‐deoxycytochalasin Q
AlkaPlorer ID: AK091780
Synonym: None
IUPAC Name: [(1R,2R,3Z,5S,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-5,7,14,15-tetramethyl-6,19-dioxo-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-dien-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C\[C@H](C)C(=O)[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]312
InChI: InChI=1S/C30H37NO5/c1-17-10-9-13-22-27-29(5,36-27)19(3)25-23(16-21-11-7-6-8-12-21)31-28(34)30(22,25)24(35-20(4)32)15-14-18(2)26(17)33/h6-9,11-15,17-19,22-25,27H,10,16H2,1-5H3,(H,31,34)/b13-9-,15-14-/t17-,18-,19-,22-,23-,24+,25-,27-,29+,30+/m0/s1
InChIKey: BKYYCQITLVBDMY-HPZAJDBKSA-N
Reference
New Cytochalasins from the Marine‐Derived Fungus <i>Xylaria</i> sp. SCSIO 156
PubChem CID: 139585768
LOTUS: LTS0080242
{NPAtlas: NPA009642
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria sp. | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 491.6280000000002
TPSA？: 88.49000000000001
MolLogP？: 4.882900000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|