Bioactive Compound Details

BioIDbio200121
Namerolliniastatin-2
ChEMBL IDCHEMBL453496
Molecular FormulaC37H66O7
Molecular Weight622.93
Molecular Weight (Monoisotopic)622.4809
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonymsrolliniastatin-2
SmilesCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCC(O)CC3=C[C@H](C)OC3=O)O2)O1
InchiInChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1
Inchi KeyMBABCNBNDNGODA-OKFJYEHJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score1.82
Records Key['2']
Records Name['rolliniastatin-2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure