Fijiolide B
AlkaPlorer ID: AK051062
Synonym: None
IUPAC Name: (3R,4R,14R,19S)-19-amino-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-17-one
Structure
SMILES: CN(C)[C@H]1[C@@H](O)[C@@H](O)[C@H](O[C@]23C=CC=C2C2=C4C=CC(=C2Cl)[C@@H](O)COC(=O)C[C@H](N)C2=CC(O)=C(O[C@H]43)C(Cl)=C2)OC1(C)C
InChI: InChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3/t19-,21-,25-,26+,28-,29+,30-,32+/m0/s1
InChIKey: SGICAIWTPRUYBA-XHXKVFPOSA-N
Reference
PubChem CID: 46850345
LOTUS: LTS0176593
SuperNatural Ⅲ: SN0344730-02
NPASS: NPC3921
{NPAtlas: NPA017487
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis sp. CNS-653 | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 663.5510000000002
TPSA？: 164.17
MolLogP？: 3.308300000000001
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Activity | nan | None | 10.1021/np100087c |
| None | Unchecked | Inhibition | 46.5 | % | 10.1021/np100087c |