Bioactive Compound Details

BioIDbio2968
NameDRONABINOL
ChEMBL IDCHEMBL465
Molecular FormulaC21H30O2
Molecular Weight314.47
Molecular Weight (Monoisotopic)314.2246
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms.DELTA.-9-TETRAHYDROCANNABINOL|.DELTA.1-THC|.DELTA.9-TETRAHYDROCANNABINOL|.DELTA.9-THC|ABBOTT 40566|ABBOTT-40566|DELTA-9-TETRAHYDROCANNABINOL|DELTA-9-THC|DRONABINOL|J882F|MARINOL|NSC-134454|QCD 84924|QCD-84924|SP 104|SP-104|SYNDROS|TETRAHYDROCANNABINOL|TETRAHYDROCANNABINOLS (-)-TRANS-.DELTA.9-FORM
SmilesCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InchiInChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
Inchi KeyCYQFCXCEBYINGO-IAGOWNOFSA-N
Molecular SpeciesNEUTRAL
Targets52.0
Bioactivities436.0
Np Likeness Score2.31
Records Key['3a', 'DeltaE-9 -THC', '1 (delta 9-tetrahydrocannabinol, THC)', 'DRONABINOL', 'THC', 'Delta9-THC', '35', 'delta9-THC', 'Dronabinol', 'Delta9-THC', '1', 'delta1-THC', '1', 'THC', 'delta-9-THC', '1, Delta9-THC', '1, delta9-THC', 'delta-9-THC (delta9-tetrahydrocannabinol)', '13 (1, Delta9-THC)', 'THC', '1a', '263, dronabinol', '30', 'Delta9-THC', 'SID144206169', '1, D9-THC', '3', 'delta-9-THC', '1', 'THC', 'delta9-THC', '2', '1', '1, delta9-THC', '30', '2a', 'delta9-THC', '1a, Delta9-THC', '3 (D9-THC)', '1, (-)-delta9-THC', 'THC', '(-)THC', 'delta 9-THC', 'Dronabinol', 'Delta9-tetrahydrocannabinol', '3, Delta9-THC', 'Delta9-THC', '(-)-trans-Delta9-THC', 'delta 9-tetrahydrocannabinol', 'THC, 1-delta9-THC', 'Delta9', 'delta9-THC', 'Delta9-THC', 'THC', 'Delta9-THC', 'Marinol', '1', 'BDBM60994', '14', 'delta9-THC', '3, delta THC', '3; Delta9-THC', '1, delta-9THC', 'THC', '1; Delta-9-THC', '4b, THC', '5', 'THC', '1', 'delta9-Tetrahydrocannabinol', '4, (-)-delta9-THC', '3c , delta9-THC', 'DRONABINOL', 'D9-Tetrahydrocannabinol', 'delta9-THC', '38', '77', 'DRONABINOL', '1, delta9-THC', 'Delta9-THC', '97; THC', '(-)-trans-delta9-THC', 'THC; 1', 'Delta9-THC', 'DRONABINOL', '3; delta9-THC', '(-)delta9-THC', '(-)-delta9-trans-THC; (-)-1', 'THC', 'THC', 'THC', 'delta9-THC', 'Delta9-THC', 'Del[9]-THC', 'THC', 'THC']
Records Name['6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (DeltaE-9-THC)', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'DRONABINOL', '8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10,11,12,12a-octahydro-2H,8H-1,7-dioxa-benzo[c]phenanthrene', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'Dronabinol', 'Delta9-tetrahydrocannabinol', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'Delta9-tetrahydrocannabinol', '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (delta9-THC(delta9-tetrahydrocannabinol))', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'Dronabinol', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'SID144206169', 'delta9-tetrahydrocannabinol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'delta9-tetrahydrocannabinol', '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (delta9-THC)', 'delta9-tetrahydrocannabinol', 'Tetrahydrocannabinol', '(R)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol', 'Delta9-Tetrahydrocannabinol', '(10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure