ID: 55756
SMILES:CC1=CCCC(C)C2C(=CC1=O)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.472
InChIKey:VOZZNWKQSWDBQZ-UHFFFAOYSA-N
ID: 55757
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2=C(C(O)C)C(=O)C2=C1OC(C(C)(C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.508
InChIKey:BJPUTSYNGDMIDW-UHFFFAOYSA-N
ID: 55758
SMILES:C(C(C)(C)C)C(C)C=C(C)c1cc(O)c(C(O)=O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.478
InChIKey:HISAZUJFZRTQQS-UHFFFAOYSA-N
ID: 55759
SMILES:C(C)CCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.936
InChIKey:TZFPIQSSTVIJTQ-UHFFFAOYSA-N
ID: 55760
SMILES:C1(C)(C)C(c2cc(CC(O)C(C)(O)C)ccc2O)C=C(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.076
InChIKey:DZTNNYAOGVLRRJ-UHFFFAOYSA-N
ID: 55761
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C(O)(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -17.47
InChIKey:GJTUSTFPHCMTJJ-UHFFFAOYSA-N
ID: 55762
SMILES:C(CCc1cc2c(c(OC)c1)C=CC(C)(CCC=C(C)C)O2)(=CC=CC(O)(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -11.705
InChIKey:QCYIVVOYLLHUQA-UHFFFAOYSA-N
ID: 55763
SMILES:O=C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)(O)C21)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.378
InChIKey:UDPTYKISSOCDTN-UHFFFAOYSA-N
ID: 55764
SMILES:c1c(CCCOC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.574
InChIKey:LODGYHGHOAAXOF-UHFFFAOYSA-N
ID: 55765
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.505
InChIKey:HDFDVFHITGCJEG-UHFFFAOYSA-N
ID: 55766
SMILES:C1(OC(=O)C)C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 55767
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 55768
SMILES:C1C=C(C)CC2C(C(C)(C)Oc3cc(C(C(C)C)=O)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.191
InChIKey:BRLCAJQOSXGFJY-UHFFFAOYSA-N
ID: 55769
SMILES:C1CC(O)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1OC(C(C)=CC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: Not available
InChIKey:XKJQXQXEMBMUHD-UHFFFAOYSA-N
ID: 55770
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)c1c2cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.67
InChIKey:JAHNDWGACZYEIN-UHFFFAOYSA-N
ID: 55771
SMILES:C(C(O)c1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.729
InChIKey:PXAKAKMGVQCMLL-UHFFFAOYSA-N
ID: 55772
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55773
SMILES:OC(C(C=C(C)C)=O)CC1C2=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)OC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: Not available
InChIKey:DDVMSYUSPRTFRA-UHFFFAOYSA-N
ID: 55774
SMILES:C1(Cc2c(O)cc(CCCCC)cc2O)C(C)(O)CC(O)CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -17.711
InChIKey:YWEVANYCTYHHRV-UHFFFAOYSA-N
ID: 55775
SMILES:C1C(C)C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.497
InChIKey:QMAULUWYEINGOC-UHFFFAOYSA-N
ID: 55776
SMILES:C1C(C(=C)C)C2c3c(O)cc(CCCCC)cc3OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N