ID: 110587
SMILES:Oc1c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 110588
SMILES:c12c(cc(CCCCC)cc1OC(C)(C)C)C(c1ccccc1)C1C(C(CC=C(C)C)CC1C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.729
CB1 binding score: -16.351
InChIKey:ZZPATQUOCCVFCS-UHFFFAOYSA-N
ID: 110589
SMILES:c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 110590
SMILES:Oc1cc(C)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 110591
SMILES:c1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 110592
SMILES:O1C(C)(CO)CC(c2c(O)cc(CCC(C)=O)cc2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: Not available
InChIKey:KTQWRNRKKNPRMD-UHFFFAOYSA-N
ID: 110593
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.696
InChIKey:HYNYRWBHLSVRRM-UHFFFAOYSA-N
ID: 110594
SMILES:C(CC(C(C)=C)c1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.228
InChIKey:UTIOFRHFMLWFIX-UHFFFAOYSA-N
ID: 110595
SMILES:c1(CCC)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.854
InChIKey:OZYYEDPTJXVZJQ-UHFFFAOYSA-N
ID: 110596
SMILES:C1OC(c2c(O)cc(CCCCC)cc2O)C2C(CCC2C)C(C(O)=O)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.247
InChIKey:VFXLIKPXKDBTNG-UHFFFAOYSA-N
ID: 110597
SMILES:C(c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.957
InChIKey:LTLUAOIIEZVROJ-UHFFFAOYSA-N
ID: 110598
SMILES:CC12CC(c3c(O)cc(CCCCC)cc3O1)C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 110599
SMILES:c1(CNC(CC(C(=O)OC)C)=O)ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.504
CB1 binding score: -14.041
InChIKey:GGAYUBJPAITGJF-UHFFFAOYSA-N
ID: 110600
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)C)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -16.589
InChIKey:BYRIXZCYDVVFJV-UHFFFAOYSA-N
ID: 110601
SMILES:c1c(O)c2c(cc1CCCCCC)OC(C)(C)C1C2C=CCC(C(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.678
InChIKey:HEZDXTQTUYTIFK-UHFFFAOYSA-N
ID: 110602
SMILES:C(CC(C)CCCCCc1ccccc1)=CC1C(=O)C(C)=C(C)C(O)=C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.637
CB1 binding score: -16.618
InChIKey:VESGWBWQNCUZJH-UHFFFAOYSA-N
ID: 110603
SMILES:c1(C2C=C(C)CCC2C(C)=C)c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 110604
SMILES:C1(c2ccc(O)c(O)c2)Oc2cc(CCCCC)cc(O)c2C2C1(O)C(Cl)C(C)(C)C(Br)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 539.894
CB1 binding score: -15.984
InChIKey:HZPOULFVBGTTDT-UHFFFAOYSA-N
ID: 110605
SMILES:C(C=C(C=O)C)(CC(C)=CCc1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.929
InChIKey:UDCTWYUVLATVFA-UHFFFAOYSA-N
ID: 110606
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(CCC=C(CCC=C(C)C)C)C)(O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.835
InChIKey:BXFAGQFYYUAVGZ-UHFFFAOYSA-N
ID: 110607
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc2c(cc3)CC2OC(C)(C)OC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.251
InChIKey:MOZYXVZFSJBXNN-UHFFFAOYSA-N