None
AlkaPlorer ID: AK319984
Synonym: None
IUPAC Name: (3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
Structure
SMILES: CCC/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(O)=N1
InChI: InChI=1S/C29H39NO3/c1-4-5-6-7-8-9-19-26-20-13-10-16-24(2)17-11-14-21-27(31)28(32)23-25(3)18-12-15-22-29(33)30-26/h6-18,21-23,26-28,31-32H,4-5,19-20H2,1-3H3,(H,30,33)/b7-6+,9-8+,13-10+,17-11+,18-12+,21-14-,22-15+,24-16+,25-23+/t26-,27-,28+/m1/s1
InChIKey: QUZNSWBEDCHESP-MRHHRLSKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 449.6350000000001
TPSA？: 73.05
MolLogP？: 6.41320000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Molecular identity unknown | MIC | 130.0 | nM | 10.1021/acs.jnatprod.6b00250 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00250 |