ID: 69406
SMILES:C1c2c(O)cc(CCCCC)cc2OC(C)(C)C2CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.236
InChIKey:ISFJBVDYHLICJJ-UHFFFAOYSA-N
ID: 69407
SMILES:C(C)(C)C1(O)CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.871
InChIKey:LQFVDPGHCRLSFW-UHFFFAOYSA-N
ID: 69408
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 69409
SMILES:c12cc(CCCCC)cc(O)c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 69410
SMILES:O=C(C)OCC1=CC2c3c(O)c(C(=O)O)c(CCCCC)cc3OC(C)(C)C2CC1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -13.756
InChIKey:ROMCXXJFDMXBDR-UHFFFAOYSA-N
ID: 69411
SMILES:c1(C)c(O)c(C(OC)=O)c(CCCCC)c2c1OC1(C)C2CC(C(C)C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.605
InChIKey:XPKSNKZHFMUJLV-UHFFFAOYSA-N
ID: 69412
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.975
InChIKey:DHXIVHTVASKKFZ-UHFFFAOYSA-N
ID: 69413
SMILES:c12c(O)cc(CCC)cc1OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -18.028
InChIKey:HPIOBJRHEQPYEG-UHFFFAOYSA-N
ID: 69414
SMILES:C12CC=C(C)C13c1c(O)cc(O)cc1OC(C)(C)C3C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -14.961
InChIKey:IYKWURZUTGRGDT-UHFFFAOYSA-N
ID: 69415
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C3C(CC(C)C)C4C(C(O)C3(O)CC3=CC(C)(C)OC(C)(C3)C4O1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.795
CB1 binding score: -15.066
InChIKey:QJNXOQYDJBMLCF-UHFFFAOYSA-N
ID: 69416
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2ccc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 69417
SMILES:C1(O)CC(C)=CCC2(C(C)(C)Oc3c(c(O)cc(CCC)c3)C2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.489
InChIKey:AFRPESLCURBHDX-UHFFFAOYSA-N
ID: 69418
SMILES:C(C1CC(C(C)C)C(c2c(OC(=O)C)cc(CCCCC)cc2)CC1C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -11.925
InChIKey:QKCFQKCZCNOJSN-UHFFFAOYSA-N
ID: 69419
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C3C2CC(C)(CC3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.955
InChIKey:LCADFQPGOKHVQO-UHFFFAOYSA-N
ID: 69420
SMILES:C(Cc1cc(O)c2c(c1C)OC(C)(C)C1CCC(C)=CC12)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.061
InChIKey:MXGKYSPJZQQSDY-UHFFFAOYSA-N
ID: 69421
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)O2)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.104
InChIKey:HLDNYCVVVYHJON-UHFFFAOYSA-N
ID: 69422
SMILES:C12C(=Cc3c(cccc3)OC1(C)C(Cl)Br)C(C)(C)C(CO)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.729
CB1 binding score: -13.958
InChIKey:BSBCXYKEAKNCDN-UHFFFAOYSA-N
ID: 69423
SMILES:CC1(C)C2C(C)(CCC1)C(Cc1c(O)cc(CCCCC)cc1O)C(C)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.238
InChIKey:CKHIENZAVZLICN-UHFFFAOYSA-N
ID: 69424
SMILES:C(CC)Cc1c(O)c(-c2ccc3c(c2O)CC2(O3)C(C)CCC3C2(C)CCC(O)C(C)(C)O3)cc(OS(=O)(=O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 590.735
CB1 binding score: -15.181
InChIKey:FGBWFZWIGHDZFK-UHFFFAOYSA-N
ID: 69425
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C=CC=C(C)C)(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.14
InChIKey:UDOBDZFWFZOJQX-UHFFFAOYSA-N
ID: 69426
SMILES:Oc1cc(CCC(OC(=O)C)C(C)C)cc(O)c1C1OC(C=O)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -13.753
InChIKey:BYTKVLFCVVKGJI-UHFFFAOYSA-N