ID: 53740
SMILES:c12cc(CCCCC)cc(OC)c1OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.65
InChIKey:WRRSUYKBDBWULJ-UHFFFAOYSA-N
ID: 53741
SMILES:c12cc(O)c(C)c(C#C)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 282.383
CB1 binding score: -13.943
InChIKey:JLCOCYMCRWWRCC-UHFFFAOYSA-N
ID: 53742
SMILES:S(O)(=O)(=O)Oc1c2c(cc(CCCCC)c1)OC(C(CC1OC(=O)C(C)=C1)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.515
CB1 binding score: -14.605
InChIKey:VYCGBYNKLUDXBO-UHFFFAOYSA-N
ID: 53743
SMILES:C(C)(=O)OC(C)(C(CCC(C)=CCc1c(O)cc(CCCCC)c(C2C=C(C)CCC2C(C)=C)c1O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.758
CB1 binding score: -17.314
InChIKey:LIXJRUNODPLNRS-UHFFFAOYSA-N
ID: 53744
SMILES:CC(C1=CCC(C)CC1c1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -13.182
InChIKey:IUYDDTLKKWJFAN-UHFFFAOYSA-N
ID: 53745
SMILES:CC(C)=CCCC(C)=CCCC(=CC(=O)c1c(O)c(C2C=C(C)CCC2C(C)C)c(O)cc1OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -15.466
InChIKey:SIDQKFJSPCDCKK-UHFFFAOYSA-N
ID: 53746
SMILES:Oc1cc(CCCC)cc2c1C(=O)C13C(=O)OC(C)(CCC(O)C(C)=C)C(CC1)C3(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.328
InChIKey:LLSIRRIFOGJRQY-UHFFFAOYSA-N
ID: 53747
SMILES:c1c(CCC)c(O)cc2c1OC(C)(C)C1CC=C(C)C(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.172
InChIKey:QCVOQBFJBPOZAH-UHFFFAOYSA-N
ID: 53748
SMILES:CC(C)C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 53749
SMILES:C1(=O)C(C)CCCC(C)=CC2C(C(C)(C)Oc3c2ccc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.281
InChIKey:GKPGPCHMYXUGEA-UHFFFAOYSA-N
ID: 53750
SMILES:C(CC=C(C)CCC1C(C)(C)O1)C1(C)Oc2c(C)cc(OC)cc2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.639
InChIKey:SMSOUEHGPLOQNM-UHFFFAOYSA-N
ID: 53751
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)CNC(=O)N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.423
CB1 binding score: -14.981
InChIKey:WHBKZCMSOMYHNU-UHFFFAOYSA-N
ID: 53752
SMILES:C(CCCc1cc2c(c(O)c1C(OC)=O)CC(C(=C)C)O2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.647
InChIKey:CBSBUCXLSXJMPV-UHFFFAOYSA-N
ID: 53753
SMILES:OC12C(CCC(=C)C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.116
InChIKey:DKUVWYAGGDMRKC-UHFFFAOYSA-N
ID: 53754
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CCC1)CCC(C(O)(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -14.143
InChIKey:HUBOOEKLAQEGEE-UHFFFAOYSA-N
ID: 53755
SMILES:C(C)(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 53756
SMILES:C=C(C1Cc2c(c(CC=C(C)CCC=C(C)C)cc(O)c2)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.862
InChIKey:GJABJXDLGAHYAU-UHFFFAOYSA-N
ID: 53757
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 53758
SMILES:C12C3C4C(C4(C)C1CC=C2)c1c(cc(CCCCCC)cc1O)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.383
InChIKey:DIPRAOSSDFIVKR-UHFFFAOYSA-N
ID: 53759
SMILES:C1(C)(C)Oc2cc(O)c(C(=O)O)c(CCCCC)c2C2=C1C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -15.929
InChIKey:RBTIEXUOXTVLQM-UHFFFAOYSA-N
ID: 53760
SMILES:C1C(O)(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -14.894
InChIKey:VXIZKKPEHCPPIS-UHFFFAOYSA-N