ID: 125098
SMILES:C12C(C(C)(C)Oc3ccc(CCCCCCCC)cc31)C(O)CC(COC(=O)c1c(O)cc3c(c1)C=CC(C)(O)C3)C2(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.8
CB1 binding score: -14.645
InChIKey:KWDDCKCHNREQEJ-UHFFFAOYSA-N
ID: 125099
SMILES:C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 125100
SMILES:C(C)(C1=Cc2ccc(CCCC)cc2OC1(C)C)CC(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.57
InChIKey:CLRDXUDFPBIJTF-UHFFFAOYSA-N
ID: 125101
SMILES:C12C(CCC(=C)C1)C(C)(C)Oc1c2cc(CCCCC=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -15.358
InChIKey:GFYQNXKPGGCYJE-UHFFFAOYSA-N
ID: 125102
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -18.334
InChIKey:XBCSXUYXVCTQRG-UHFFFAOYSA-N
ID: 125103
SMILES:c1(O)cc(CCCC(C)C)c(O)c2c1C1C(=O)CCCC1(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.282
InChIKey:PQBAVTKVWAMAHN-UHFFFAOYSA-N
ID: 125104
SMILES:C1C(OC(CCCC)=O)C(C(C)C)C2c3c(cc(CCCCC)cc3OC1=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.123
InChIKey:OGGWZZUJDFCEHY-UHFFFAOYSA-N
ID: 125105
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 125106
SMILES:C1C(C)=CCC(C(C)(C)OCc2c3ccc(CCCCCCCC)cc3c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.616
CB1 binding score: -11.85
InChIKey:MBDSJXSEYYNKOT-UHFFFAOYSA-N
ID: 125107
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125108
SMILES:c1(O)c(OCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.108
InChIKey:HUOSBKDCWCFSDM-UHFFFAOYSA-N
ID: 125109
SMILES:c1(CC=C(C)C)c(-c2cc(O)cc(CCCCC)c2)oc2c1C1CC(C)=CCC1C(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.675
CB1 binding score: -15.631
InChIKey:LXVUXPLLXGQTMB-UHFFFAOYSA-N
ID: 125110
SMILES:C12C3(C)C(C)(CC1=C(C)C=C2)C=C(C(=O)CC(CCCc1cc(O)ccc1O)C)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -16.276
InChIKey:LVLOASKDEJQTME-UHFFFAOYSA-N
ID: 125111
SMILES:Oc1ccc(C2C=C(C)CC(c3c(O)cc(CCC)cc3O)C2C(C)=C)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -16.246
InChIKey:WVKMQFVKPONCSV-UHFFFAOYSA-N
ID: 125112
SMILES:c1(=O)c2c(cc(OC)c(C3C(C(C)=C)CCC(C)=C3)c1OC)o2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.12
InChIKey:KCTIUEJBPBUPCV-UHFFFAOYSA-N
ID: 125113
SMILES:C(CCc1c(OC)c(OC)cc(O)c1)c1cc(O)c(C2C=C(C)CC(O)C2C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -13.189
InChIKey:NALITLZHULZEJW-UHFFFAOYSA-N
ID: 125114
SMILES:O1C(CCC(O)(C)C)C(C)(O)C2C3C(C(C)CC2)C1c1c(O)cc(CCCCC)cc1O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -12.659
InChIKey:KFRPLBBOTUFSCZ-UHFFFAOYSA-N
ID: 125115
SMILES:Oc1c(O)c(OC)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.636
InChIKey:NOPSYQKCBAGDKT-UHFFFAOYSA-N
ID: 125116
SMILES:c1(O)c(C2C(C(=C)C)CC(O)C(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 125117
SMILES:c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 125118
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)c1c(N)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 433.592
CB1 binding score: -15.177
InChIKey:WXDWXQXTOVRMRQ-UHFFFAOYSA-N