ID: 13336
SMILES:Oc1cc(C)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 13337
SMILES:O(C)c1cc2c(c(O)c1C)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.667
InChIKey:CYMPXKMPQWUFSW-UHFFFAOYSA-N
ID: 13338
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 13339
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(OC(C)=O)c2c(c(COC(C)=O)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -15.17
InChIKey:ZZPKSKFYPBNXEX-UHFFFAOYSA-N
ID: 13340
SMILES:CC1(C)C2CCC(C)(O)CC2c2cc(cc(CCCCC)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -12.029
InChIKey:QVJSBNHGRROWCE-UHFFFAOYSA-N
ID: 13341
SMILES:c1c2c(c(C)cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.807
InChIKey:UXMIHAFYFTVPQZ-UHFFFAOYSA-N
ID: 13342
SMILES:C1CC2(C)OC2C2c3c(cc(CCCCC)cc3OC)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.152
InChIKey:TYUQDDHJMDBZCX-UHFFFAOYSA-N
ID: 13343
SMILES:OCC(=CCc1c(O)c(C2C(C(=C)C)CC(O)C(C)=C2)c(O)cc1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.336
InChIKey:YURPYRCKOMABSM-UHFFFAOYSA-N
ID: 13344
SMILES:OC(C12C(Cc3c(O)c(C(=O)O)c(CCCCC)cc3O)CC(CC1)C2(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.872
InChIKey:HAYZJSAEXOFVBM-UHFFFAOYSA-N
ID: 13345
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 13346
SMILES:C1CC(=O)c2c(c(CCCCC)cc(O)c2)OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.12
InChIKey:SMAIOBJGVBEKRT-UHFFFAOYSA-N
ID: 13347
SMILES:C(CCCC(=CC=O)C)(c1c2c(ccc1O)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.095
InChIKey:JFVCYLAAOCMYHF-UHFFFAOYSA-N
ID: 13348
SMILES:C1(C(C)(C)O)Oc2cc(CCCCCO)cc(O)c2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -17.034
InChIKey:JDYOFLDLZAAHOQ-UHFFFAOYSA-N
ID: 13349
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.179
InChIKey:PYFBLVKLSXVBSH-UHFFFAOYSA-N
ID: 13350
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 13351
SMILES:C(C)(C=CC(=O)C(=O)c1c2c(c(O)c(C)c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.123
InChIKey:WLYAKGIPJXLIAQ-UHFFFAOYSA-N
ID: 13352
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(=O)C21CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.816
InChIKey:AAUZWLHEMSSDSZ-UHFFFAOYSA-N
ID: 13353
SMILES:COc1cc2c3c(c1C)OC(C)(C)C1C3C=C(C)CC1CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.732
InChIKey:WFADELIPMPFOFU-UHFFFAOYSA-N
ID: 13354
SMILES:C1(C)(C)C(C=O)=C(C)CC2c3c(O)cc(CCCCCBr)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.456
CB1 binding score: -13.828
InChIKey:LXWQPGVHLVXYMV-UHFFFAOYSA-N
ID: 13355
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.824
InChIKey:YVIFVQDDWLOZRC-UHFFFAOYSA-N
ID: 13356
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N