Botryosulfuranol C
AlkaPlorer ID: AK117713
Synonym: None
IUPAC Name: (1R,9S,12R,13R,14R)-13-hydroxy-18-methylspiro[2,15-dioxa-10,11-dithia-16,18-diazapentacyclo[10.5.2.01,9.03,8.012,16]nonadeca-3,5,7-triene-14,6'-cyclohex-2-ene]-1',17,19-trione
Structure
SMILES: CN1C(=O)[C@@]23SS[C@H]4C5=CC=CC=C5O[C@]41C(=O)N2O[C@]1(CCC=CC1=O)[C@H]3O
InChI: InChI=1S/C19H16N2O6S2/c1-20-16(25)19-14(23)17(9-5-4-8-12(17)22)27-21(19)15(24)18(20)13(28-29-19)10-6-2-3-7-11(10)26-18/h2-4,6-8,13-14,23H,5,9H2,1H3/t13-,14+,17-,18-,19+/m0/s1
InChIKey: VOUCYTUBFKLYLN-AQQQZIQISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Botryosphaeria | Botryosphaeriaceae | Botryosphaeriales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 432.4790000000002
TPSA？: 96.38
MolLogP？: 1.1722999999999997
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|