ID: 5020
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 5021
SMILES:c12c(cc(C)c(OCC=C(CO)CC(O)C=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.326
InChIKey:XNWHEGFTYUBHNH-UHFFFAOYSA-N
ID: 5022
SMILES:Oc1cc(CO)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.251
InChIKey:AGVQKYIYQOGIBR-UHFFFAOYSA-N
ID: 5023
SMILES:OC(CC(=C)C)OC1CC(C(C)=C)C(c2ccc(CCCCCC)cc2)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.216
InChIKey:XNVPGQYNKYAGPL-UHFFFAOYSA-N
ID: 5024
SMILES:CC1(CC(C(O)C(C)=C)O)C(O)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -13.821
InChIKey:OSEXRVSCZYVXAK-UHFFFAOYSA-N
ID: 5025
SMILES:c1(O)cc(CCCC)cc(C2CCCN2C(=O)C=C(CCC=C(C)C)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.549
CB1 binding score: -15.526
InChIKey:MPYBHORQRHPWNV-UHFFFAOYSA-N
ID: 5026
SMILES:C(CC)CCc1cc2c(cc1O)OC(C)(C)C1CCC(C)(O)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.745
InChIKey:XNCYIEYVCPAOKC-UHFFFAOYSA-N
ID: 5027
SMILES:O1C2(C(C)C3CC(C)(C)CC2c2c(cc(CCCCC)c(C(=O)OCC)c2O)O3)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -14.576
InChIKey:ALJQYWIXTOYIFI-UHFFFAOYSA-N
ID: 5028
SMILES:CCCCc1c(C(O)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.957
InChIKey:BBTJGOMWXQQCKF-UHFFFAOYSA-N
ID: 5029
SMILES:C1C(C)CCC2(C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.914
InChIKey:OEEMJQZDILPNIY-UHFFFAOYSA-N
ID: 5030
SMILES:C(C(C(C)=C)Cc1c2c(ccc1OC)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.482
InChIKey:AESPLXIOVFEGKS-UHFFFAOYSA-N
ID: 5031
SMILES:c1c(OC)ccc(O)c1CC(=O)OC1CC(C)=CCC2C(C)(C)OC2=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -15.058
InChIKey:ZEVGAPLHBWQUQF-UHFFFAOYSA-N
ID: 5032
SMILES:COCC1=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.642
InChIKey:AUSCZZFCDGLSPN-UHFFFAOYSA-N
ID: 5033
SMILES:c1(O)cc(CCCC)cc2c1C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.962
InChIKey:MVBUZUVPKJXXNR-UHFFFAOYSA-N
ID: 5034
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 5035
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 5036
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(CCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.127
InChIKey:OPXKVEGAXOYJHJ-UHFFFAOYSA-N
ID: 5037
SMILES:CC(C(CC=C(C)C1C(=O)CC2(C)c3c(cc(C)cc3O)OC21COC(=O)C)C)(O)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.523
CB1 binding score: -11.388
InChIKey:LOBCHHWVTQLLGR-UHFFFAOYSA-N
ID: 5038
SMILES:C12C3(c4c(cc(CCCCC)cc4O)OC1(C)C3)OCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.276
InChIKey:BXVLJEUNUQTKOD-UHFFFAOYSA-N
ID: 5039
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(COC3OC(CO)C(O)C(O)C3O)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -16.943
InChIKey:DDFZDMWSKCBTMR-UHFFFAOYSA-N
ID: 5040
SMILES:c1(C(=O)CC(C)C)c(O)c(C2C=C(C)CCC2C(=C)C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.291
InChIKey:UJUOHEJECQUZQT-UHFFFAOYSA-N