Phyto4Health

Epicorazine B

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3104418
PubChem: 73891006
IUPAC: (1R,4S,5S,9R,11R,14S,15S,19S)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone
Standard InChI: InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8+,11-,12-,13-,14-,17+,18+/m0/s1
Standard InChI Key: RCODXLGTKJXDNC-ODWYQEHYSA-N
SMILES: O[C@H]1C=CC(=O)[C@H]2[C@@H]1N1C(=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: -0.78
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 7
Molecular Weight: 420.04
Topological polar surface area: 166
Number of aromatic rings: 0
Fsp3: 0.667
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.