ID: 62161
SMILES:C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 62162
SMILES:C1(C)=CC2Oc3c(c(OC)cc(CCCCC)c3)C2C=C(C)C(OC(=O)C)CC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.772
InChIKey:QWTZWCPKSBKQDF-UHFFFAOYSA-N
ID: 62163
SMILES:C(C)(CCC1=C(C)C(O)(c2c(O)cc(O)cc2CCCCC)C(=C(C)C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -13.027
InChIKey:FHEASDOUZFKKMD-UHFFFAOYSA-N
ID: 62164
SMILES:C12(Cc3c(c4c(cc3O)C35C4C5=CC(C)(C)OC3(C)C)CC(Br)C(C)(C)OCl)CC(=O)C(C)(CC1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 579.959
CB1 binding score: -15.67
InChIKey:MATJKLIQNGNTBL-UHFFFAOYSA-N
ID: 62165
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)CC=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.605
InChIKey:KBHBUYMAVPRNLK-UHFFFAOYSA-N
ID: 62166
SMILES:c1(CC=C(C)C)c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 62167
SMILES:OC1CCC(=O)C2(c3c(OC)cc(CCCCC)cc3OC2=C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.793
InChIKey:BATCITPQNBKTOR-UHFFFAOYSA-N
ID: 62168
SMILES:Oc1cc2c(cc1O)OC(C)(C)C1C2C=C(COC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: Not available
InChIKey:GKMSWLMTUAJRLS-UHFFFAOYSA-N
ID: 62169
SMILES:C1(C)C(=C)C2C(C(O)C1)C(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.749
InChIKey:LCNVTLKLJRMFLG-UHFFFAOYSA-N
ID: 62170
SMILES:O(CC1CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.013
InChIKey:BSDLVSASMCJRGD-UHFFFAOYSA-N
ID: 62171
SMILES:C1(O)(C)C2c3c(O)cc(CCCCC)cc3OC(C)(CCC1)C2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.255
InChIKey:BAYXABLYTNISJM-UHFFFAOYSA-N
ID: 62172
SMILES:CC1(C)C2CC=C(CO)CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -16.252
InChIKey:IGXDODRCYDTZCF-UHFFFAOYSA-N
ID: 62173
SMILES:c12c(c(O)cc(CCCCC)c1)C1(C(C=C(C)C)C(OC)C2C)OC(=O)c2ccccc2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -15.135
InChIKey:AVMWFGSBTWSVRB-UHFFFAOYSA-N
ID: 62174
SMILES:CC1(C)Oc2cc(CCCCC)cc(OC(=O)C)c2C2CCC3(C)C4CCC(C)C4CC31C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -15.654
InChIKey:KSLRRGODXSYYDU-UHFFFAOYSA-N
ID: 62175
SMILES:Oc1ccccc1C(=O)OC1C(O)(C)CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.599
CB1 binding score: -15.929
InChIKey:YKQVZKVRJYWFNU-UHFFFAOYSA-N
ID: 62176
SMILES:C1=C(C)C(c2c(O)cc(CCCCC)cc2)CC(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.388
InChIKey:CLUYRZPIFPWAEP-UHFFFAOYSA-N
ID: 62177
SMILES:c1(C(CC)OO)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.488
InChIKey:LMTQSKYZPILXMZ-UHFFFAOYSA-N
ID: 62178
SMILES:Oc1cc(O)c(C(=O)C(CC)C)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.453
InChIKey:NIZQVFOBIVYVBJ-UHFFFAOYSA-N
ID: 62179
SMILES:OC1(C)CC2(O)C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.298
InChIKey:UFFAKHDKHZVGBM-UHFFFAOYSA-N
ID: 62180
SMILES:C(C(=CCC1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC(=O)C)C)CC=C(C)CCC=C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.824
CB1 binding score: -14.523
InChIKey:XTYONPKTZZDIQY-UHFFFAOYSA-N
ID: 62181
SMILES:c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N