Phyto4Health

Epicorazine C

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3102874
PubChem: 10410865
IUPAC: (1R,4S,5S,9S,11R,14S,15R,16S,19R)-5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone
Standard InChI: InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17-,18-/m1/s1
Standard InChI Key: NCDIBOQDVNONGL-HISJFFBUSA-N
SMILES: O[C@H]1CC(=O)[C@H]2[C@@H]([C@H]1O)N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O

Molecular propeties

AlogP: -1.58
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 3
Rotatable bonds: 0
Number of rings: 7
Molecular Weight: 438.06
Topological polar surface area: 186
Number of aromatic rings: 0
Fsp3: 0.722
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
PlantEucalyptus maideni

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.