ID: 57100
SMILES:C1(C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 57101
SMILES:CC(CO)(Cc1cc2c(c(O)c1)C1C(CC2)C(C)(C)Oc2c1cc(O)c(CC=C(C)C)c2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -16.035
InChIKey:DICKAYNXSXUOJC-UHFFFAOYSA-N
ID: 57102
SMILES:C(=O)(Cc1c(O)cc(CCCCC)c(C(=O)OC)c1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.522
InChIKey:FGSWQXPFUHHVMO-UHFFFAOYSA-N
ID: 57103
SMILES:C(C(C(C)=CCCC(=CCc1cc(O)cc(C)c1O)C)C)CC1OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.821
InChIKey:JWHZZRKPNUIVSS-UHFFFAOYSA-N
ID: 57104
SMILES:O(C)c1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -17.003
InChIKey:FTACKRCOPDZSOL-UHFFFAOYSA-N
ID: 57105
SMILES:C(C1(COc2cccc(CCCCC)c2)C2C(C)(Oc3c(c(C(=O)CC(C)C)c(O)c(C=O)c3O)C2C)CCC1)CCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 620.871
CB1 binding score: -16.207
InChIKey:IYDITKINCXXAQI-UHFFFAOYSA-N
ID: 57106
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 57107
SMILES:C12C(C1)C=C(C)c1c2c(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.475
CB1 binding score: -12.549
InChIKey:KQSMMWNEJZCQGL-UHFFFAOYSA-N
ID: 57108
SMILES:c1(O)c(CCCCC)cc(O)c2c1OC(C)(CCC=C(C)C)C(O)C=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.929
InChIKey:OYTVOXBQWWLMIW-UHFFFAOYSA-N
ID: 57109
SMILES:C=C(C)CCCc1ccc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -18.536
InChIKey:NKRABSLWICYXER-UHFFFAOYSA-N
ID: 57110
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C=O)=CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.093
InChIKey:WPHHWSFZZQEDJQ-UHFFFAOYSA-N
ID: 57111
SMILES:Oc1c(C(=O)C(CC)C)c(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.998
InChIKey:URRHSZIHKQAPKK-UHFFFAOYSA-N
ID: 57112
SMILES:Oc1cc(C(O)C(=C2C(C)CC(C)(C)CCC2)C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.564
InChIKey:APTPOIWENNGSGP-UHFFFAOYSA-N
ID: 57113
SMILES:C(CCCCc1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)C)c(O)c1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.723
CB1 binding score: -17.761
InChIKey:HEXBKQAXMUXEEM-UHFFFAOYSA-N
ID: 57114
SMILES:c1(Br)c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.365
CB1 binding score: -14.872
InChIKey:RKVRQKKCXRAHJA-UHFFFAOYSA-N
ID: 57115
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 57116
SMILES:CCCCCc1cc2c(c(OC)c1)C1C(C(C)(O)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.876
InChIKey:ZRTCHWRVSYMIAB-UHFFFAOYSA-N
ID: 57117
SMILES:Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C(C=C(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.608
InChIKey:YECMZMIRGMJWRZ-UHFFFAOYSA-N
ID: 57118
SMILES:C(CCO)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.578
InChIKey:VWFFDRSNKWHXJK-UHFFFAOYSA-N
ID: 57119
SMILES:c12c(O)cc(CCCCC)cc1OC(CCCC(C)=C)(C)C(CC=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 384.604
CB1 binding score: -15.722
InChIKey:UVMWZIQHGGSZCZ-UHFFFAOYSA-N
ID: 57120
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC2=C)C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.398
InChIKey:RHIXXHICGMRDCB-UHFFFAOYSA-N