ID: 45151
SMILES:C(CCC)c1c(O)c2c(c3c1OC1(C)C(C3C)OC(C)(C)CC1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.462
InChIKey:JFKSHUXLBXFUDT-UHFFFAOYSA-N
ID: 45152
SMILES:c12c(c(C(O)C)cc(O)c1)CC(C(C)=C)C(C=C(CCC=C(C)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.919
InChIKey:GOPSLRLFCJQQOP-UHFFFAOYSA-N
ID: 45153
SMILES:C12C(C)(C)Oc3c(cccc3OC)C1C=C(C)CCC=C(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.084
InChIKey:YSTMQSXSCSSPAR-UHFFFAOYSA-N
ID: 45154
SMILES:CC1(O)C2CCc3c(c(OC)cc(CCCCC)c3)C2(C)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -13.765
InChIKey:BXIPWHXWRPYLNH-UHFFFAOYSA-N
ID: 45155
SMILES:C(CCCC(=O)O)Cc1cc2c(c(O)c1)C1CC(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.929
InChIKey:SCBWAZVHCQFDLU-UHFFFAOYSA-N
ID: 45156
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(Br)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -18.662
InChIKey:OLWQGBDFFXCSTJ-UHFFFAOYSA-N
ID: 45157
SMILES:C1CC2(c3c(O)cc(CCCC)cc3OC2(C)C)CC2C1(C)CCCC2(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.662
InChIKey:FESBYKXSVDQZDS-UHFFFAOYSA-N
ID: 45158
SMILES:C(CC(=O)c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C(C)(O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.337
InChIKey:RQRGOMUEOFJZFH-UHFFFAOYSA-N
ID: 45159
SMILES:CC1(C)Oc2cc(CC)cc(O)c2CC2(C)CCCC(C)=C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.363
InChIKey:PEWPWRBXOMBVJA-UHFFFAOYSA-N
ID: 45160
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 45161
SMILES:C(CC=C(C)CCC=C(C)C)C1(C)Oc2cc(CCCCC)cc(OC)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.505
InChIKey:HDFDVFHITGCJEG-UHFFFAOYSA-N
ID: 45162
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1O)CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.607
InChIKey:VEHHNMZLUVOLET-UHFFFAOYSA-N
ID: 45163
SMILES:C1=CCC2(C)Oc3c(c(O)cc(CCCCC)c3O)C(OC(=O)C)C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.441
InChIKey:XMQPMUUMDHWSAZ-UHFFFAOYSA-N
ID: 45164
SMILES:COc1cc(O)c2c(c1C(CC(C)C)=O)OC(C)(C)C1C2C=C(CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.638
InChIKey:JKKHCRUWXQMTEA-UHFFFAOYSA-N
ID: 45165
SMILES:CSCC1=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC2(C)C2C(C)(C)C3CCC(C)C(=C32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.795
CB1 binding score: -15.354
InChIKey:UTFNRUMLAORNNN-UHFFFAOYSA-N
ID: 45166
SMILES:CC(C1C2Oc3c(C(O)=O)c(CCCCC)cc(O)c3C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.813
InChIKey:CHPOETPXWFTWNK-UHFFFAOYSA-N
ID: 45167
SMILES:O=C(C)OC(c1c(OCC=C(C)CCC=C(C)C)cc(CCCCC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.651
InChIKey:COKZDQKFLAWKJK-UHFFFAOYSA-N
ID: 45168
SMILES:Oc1c2c(cc(CCC)c1)OC(C)(C)C1=C2CC(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.155
InChIKey:SWBMWFGNFZCROR-UHFFFAOYSA-N
ID: 45169
SMILES:Cc1cc(Oc2cc(CCCCCC)ccc2O)c2c(c1O)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.636
InChIKey:HVSNJANLWGFDBM-UHFFFAOYSA-N
ID: 45170
SMILES:C(C)(C)=CCCC1=CC(c2c(O)cccc2)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -16.97
InChIKey:UNYBWIJPOCMNKL-UHFFFAOYSA-N
ID: 45171
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N