Rubrolone
AlkaPlorer ID: AK069351
Synonym: ''
IUPAC Name: (15S,16R,17S,18R,20R)-2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
Structure
SMILES: CCCC1=NC(C)=CC2=C1C(=O)C1=C2C(=O)C2=C(C(O)=C1)[C@@]1(O)[C@@H](O2)O[C@H](C)[C@@H](O)[C@H]1O
InChI: InChI=1S/C23H23NO8/c1-4-5-12-15-10(6-8(2)24-12)14-11(18(15)27)7-13(25)16-20(19(14)28)32-22-23(16,30)21(29)17(26)9(3)31-22/h6-7,9,17,21-22,25-26,29-30H,4-5H2,1-3H3/t9-,17-,21-,22-,23+/m1/s1
InChIKey: UURMXICTBNVMJV-VLFXKYBSSA-N
Reference
LOTUS: LTS0098922
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces echinoruber | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 441.4360000000001
TPSA？: 146.41000000000005
MolLogP？: 0.6663199999999994
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|