ID: 47734
SMILES:c1(CCS(C)=O)cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.497
CB1 binding score: -12.261
InChIKey:BLMFDUXJPORUGG-UHFFFAOYSA-N
ID: 47735
SMILES:c1c(CCCCCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -18.043
InChIKey:AELQXIFXNIOWTC-UHFFFAOYSA-N
ID: 47736
SMILES:C(O)(CC)c1c(O)c(CC=C(CCC=C(C)C)C)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -16.414
InChIKey:BGPJHGFWZGNGMS-UHFFFAOYSA-N
ID: 47737
SMILES:CC1(C)C2(O)CCC(O)(C)C3C(c4c(O)cc(CCC)cc4O)OC1C32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.121
InChIKey:XZUBDIMTJJVBQB-UHFFFAOYSA-N
ID: 47738
SMILES:C1(Cl)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.81
CB1 binding score: -16.991
InChIKey:PRDPGKWZLOVQOR-UHFFFAOYSA-N
ID: 47739
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 47740
SMILES:C(CC)CCc1cc2c(c(O)c1C=O)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.604
InChIKey:JGQKBHANMKBVEI-UHFFFAOYSA-N
ID: 47741
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1=C=CC(C)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.692
InChIKey:LQZPCTIGXRXEQF-UHFFFAOYSA-N
ID: 47742
SMILES:Oc1cc(CS)cc2c1OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.442
CB1 binding score: -13.171
InChIKey:VPOYLBKSPVJRKM-UHFFFAOYSA-N
ID: 47743
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C(=O)CCC(C)=CC(O)C1C(C)(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.174
InChIKey:HLCXYUNRUREOEJ-UHFFFAOYSA-N
ID: 47744
SMILES:C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(CCCCCO)c1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.85
InChIKey:HQWMJRQFGWJORD-UHFFFAOYSA-N
ID: 47745
SMILES:C(c1c(C(O)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 372.461
CB1 binding score: -16.069
InChIKey:SWQKMQCEXSNDIP-UHFFFAOYSA-N
ID: 47746
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 47747
SMILES:C1(O)C(C)C2(Oc3cc(CCCCC)cc(O)c32)C(C)(C)C(CC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.284
InChIKey:FXMQASIWYGDFNY-UHFFFAOYSA-N
ID: 47748
SMILES:Oc1c(C(=O)CC(C)C)c2c(c(C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.279
InChIKey:LLYAFJFRFHYZJG-UHFFFAOYSA-N
ID: 47749
SMILES:CC1C2C(OC1=O)C1c3c(cc(CCCCC)cc3O1)OC21C(C)(O)C(C(=CCC=C(C)C)C=O)CC(OC(=O)C)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.756
CB1 binding score: -15.683
InChIKey:FIRRZTKOZFFXOI-UHFFFAOYSA-N
ID: 47750
SMILES:c1c2cc(CCCCC)c(C3C(C(C)C)CCC(C)=C3)c1OCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 340.551
CB1 binding score: -11.739
InChIKey:OWISFQMTWPICCV-UHFFFAOYSA-N
ID: 47751
SMILES:Oc1cc(CCCCC)c(C(=O)OC(CC(C)C)=O)c(O)c1CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -12.769
InChIKey:LVFBECWZHOBBDF-UHFFFAOYSA-N
ID: 47752
SMILES:C1(O)(C)c2c(cc(CCCC)cc2O)OC(C(O)(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -15.639
InChIKey:UEQJJVOCHCVJKW-UHFFFAOYSA-N
ID: 47753
SMILES:CC1=CCC(C)C2Cc3c(O)c(C(=O)OC)c(CCCCC)cc3OC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.329
InChIKey:WJJSTUQSIHQKIR-UHFFFAOYSA-N
ID: 47754
SMILES:C1C2C(C)(C)Oc3c(cc(O)cc3)C2C=C(COC(=O)C)CCC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.013
InChIKey:LHESCDXELQQBIJ-UHFFFAOYSA-N