(3aR,4R,6R,7R,7aR)-1-[(4-fluorophenyl)methyl]-6,7-dihydroxy-3-(2-methylpropyl)-2-sulfanylidene-hexahydro-1,3-benzodiazole-4-carboxamide
AlkaPlorer ID: AK450238
Synonym: None
IUPAC Name: (3aR,4R,6R,7R,7aR)-1-[(4-fluorophenyl)methyl]-6,7-dihydroxy-3-(2-methylpropyl)-2-sulfanylidene-3a,4,5,6,7,7a-hexahydrobenzimidazole-4-carboxamide
Structure
SMILES: CC(C)CN1C(=S)N(CC2=CC=C(F)C=C2)[C@H]2[C@@H](O)[C@H](O)C[C@@H](C(N)=O)[C@H]21
InChI: InChI=1S/C19H26FN3O3S/c1-10(2)8-22-15-13(18(21)26)7-14(24)17(25)16(15)23(19(22)27)9-11-3-5-12(20)6-4-11/h3-6,10,13-17,24-25H,7-9H2,1-2H3,(H2,21,26)/t13-,14-,15-,16-,17+/m1/s1
InChIKey: LWBYOPAUICBXBR-HHARLNAUSA-N
Reference
Macaflavanones A−G, Prenylated Flavanones from the Leaves of <i>Macaranga tanarius</i>
PubChem CID: 40781661
SuperNatural Ⅲ: SN0216986-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 395.5000000000001
TPSA？: 90.03
MolLogP？: 0.8484
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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