ID: 50170
SMILES:C1(C)(C)C=CC(OC(C)=O)C(C)=CC2c3c(cc(CCC)cc3O)OC2(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.293
InChIKey:JPLBJQVBKAGAJE-UHFFFAOYSA-N
ID: 50171
SMILES:C123C(C)(C)C(O)CC1Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C2CC(O)C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -14.079
InChIKey:IAIYEJJSARIKGW-UHFFFAOYSA-N
ID: 50172
SMILES:C(Cc1c(CCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1)(O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.182
InChIKey:JOQJNWYZQYTPBX-UHFFFAOYSA-N
ID: 50173
SMILES:c1c(CCCCCC)cc2c(c1O)C1CC(C)(O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.427
InChIKey:UTXVBEHMQGNODO-UHFFFAOYSA-N
ID: 50174
SMILES:C(CCCC)c1cc(O)c2c(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: 50175
SMILES:BrC1CC=C(C)CCC(Br)C(C)(C)Oc2cc(C)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.196
CB1 binding score: -15.963
InChIKey:BEKODOXIZAGALO-UHFFFAOYSA-N
ID: 50176
SMILES:CC(C=CCC(C)=CCc1c(O)c(C)cc(O)c1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.746
InChIKey:SAVHMKMRPFLBRI-UHFFFAOYSA-N
ID: 50177
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1C2(C)C(C)C=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.088
InChIKey:GNQVHOSYPIHOJD-UHFFFAOYSA-N
ID: 50178
SMILES:Oc1c(O)cc(CC(O)=O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: Not available
InChIKey:ITFCGECHJWFWJZ-UHFFFAOYSA-N
ID: 50179
SMILES:C1(Cl)C(C)=CC(c2c(OC)ccc(CC[N+](C)(O)C)c2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.937
CB1 binding score: -16.002
InChIKey:YYFSGRAQWDLMJK-UHFFFAOYSA-N
ID: 50180
SMILES:C1(O)CC(C)(C)C2C(C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.906
InChIKey:DLZOIILMDQLHIN-UHFFFAOYSA-N
ID: 50181
SMILES:C(C)(=CCCC(C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 50182
SMILES:c1(OC)c2c(cc(C)c1)OC(CCC1C(C)(C)OC(C)(C)OC1=C2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.431
InChIKey:LNTIVVHWHKNKAU-UHFFFAOYSA-N
ID: 50183
SMILES:CC1c2c(ccc(C)c2)-c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -16.347
InChIKey:IXPWDQGGYYMQFQ-UHFFFAOYSA-N
ID: 50184
SMILES:c1(O)cc(CCCCC)cc(O)c1C1CC(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 50185
SMILES:CC1(C)Oc2c(c3c(c(C)c2)C(C(=O)OC)OC(C)(C)C3)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.288
InChIKey:KGIIDELEEFJPRZ-UHFFFAOYSA-N
ID: 50186
SMILES:C(Oc1c2c(cc(CCCCC)c1)OC(C)(C1CCC(C)=CC1)CC2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.541
InChIKey:KVPRKBWHZWNGJZ-UHFFFAOYSA-N
ID: 50187
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -13.784
InChIKey:HSYODIWGISAAEH-UHFFFAOYSA-N
ID: 50188
SMILES:C12(C)Oc3c(c(O)cc(CCC)c3)C3C1C(C(C)C)CC=C3C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -14.724
InChIKey:CPLUYHKDPSEALK-UHFFFAOYSA-N
ID: 50189
SMILES:OC12C(CCC(=C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.56
InChIKey:UQALAHMDMYSYFE-UHFFFAOYSA-N
ID: 50190
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N