Bioactive Compound Details

BioIDbio1589
NameDAPHNIPAXIANINE C
ChEMBL IDCHEMBL251641
Molecular FormulaC21H29NO2
Molecular Weight327.47
Molecular Weight (Monoisotopic)327.2198
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDaphnipaxianine C
SmilesC[C@@H]1CN2C[C@H]3CCC4=C5[C@](O)(CC4)CC[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C
InchiInChI=1S/C21H29NO2/c1-12-10-22-11-14-4-3-13-5-6-20(24)7-8-21(17(13)20)18(23)15(12)9-16(22)19(14,21)2/h12,14-16,24H,3-11H2,1-2H3/t12-,14-,15-,16-,19-,20+,21+/m1/s1
Inchi KeyWYMWDJXOESFITD-HNZZMXTESA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities3.0
Np Likeness Score3.04
Records Key['3']
Records Name['daphnipaxianine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure