ID: 50086
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -18.455
InChIKey:AKZMYJAEOJLEIA-UHFFFAOYSA-N
ID: 50087
SMILES:c1(CCCCC)cc(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: 50088
SMILES:C1(C(C)CO)C2c3c(O)cc(CCCCC)cc3OC3(C)C(CC2=C(CCC=C(C)C)CC1)C=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -17.557
InChIKey:SGTQOEXTAAOBMO-UHFFFAOYSA-N
ID: 50089
SMILES:C(C)(C1C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 50090
SMILES:c1(C(O)C(CO)O)cc(C2C(C(=C)C)CCC(C)=C2)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.577
InChIKey:SZIATISPCKYKAM-UHFFFAOYSA-N
ID: 50091
SMILES:C(C(CCC(C)=CCc1c(O)cc(CCC)cc1O)C)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.528
CB1 binding score: -16.387
InChIKey:GOPSDZVOCAXKTM-UHFFFAOYSA-N
ID: 50092
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 50093
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 50094
SMILES:CC(CC)C(=O)OCC1=CCC2C1c1c(c(OC)ccc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -12.721
InChIKey:IHKKFHLSFFFWAL-UHFFFAOYSA-N
ID: 50095
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C1CC=C(C)CC1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.239
InChIKey:IDONZTZEXAPGEK-UHFFFAOYSA-N
ID: 50096
SMILES:CC1C2=C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.028
InChIKey:ORJNSRZTWUUOQU-UHFFFAOYSA-N
ID: 50097
SMILES:CC(C)CC(=O)c1c(OC)c2c(c(OC)c1)C(c1c3c(cc(O)c1)OC(C(C)(C)O)C3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.746
CB1 binding score: -15.069
InChIKey:MXQWHUVHEKRXFZ-UHFFFAOYSA-N
ID: 50098
SMILES:Oc1cc(CCC)c(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.708
InChIKey:RPJFNDMWNLYLOA-UHFFFAOYSA-N
ID: 50099
SMILES:C1c2c(O)cc(CCCCC)cc2OC2(OC(C)(C)CC2)C1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.813
InChIKey:YFJDRYPEBWMPLP-UHFFFAOYSA-N
ID: 50100
SMILES:C1=C(C)C(Cc2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.929
InChIKey:TUSFWJVPLWNLLQ-UHFFFAOYSA-N
ID: 50101
SMILES:C1(C(=C)C)CCC(O)(C)C2Oc3c(c(O)cc(CCCCC)c3)C3C=C(C(=O)O3)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -12.263
InChIKey:HQSYFQSNTSAKJM-UHFFFAOYSA-N
ID: 50102
SMILES:CC(C1CC(OC(=O)CCCC)C(C)=CC2c3c(cc(CCCCC)cc3O)OC2(C)C1OC(=O)CCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.757
CB1 binding score: -13.954
InChIKey:BBPYHZOPPGKVGR-UHFFFAOYSA-N
ID: 50103
SMILES:c12c(ccc(CCCCCI)c1)C(C)(C)Oc1c-2cc(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.333
CB1 binding score: -14.596
InChIKey:IREWWZIHCGGMAZ-UHFFFAOYSA-N
ID: 50104
SMILES:Cc1cc(OC)c2c(c1-c1c(C)ccc3c1C(C=C(C)C)CC(C)C3=O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.707
CB1 binding score: -16.233
InChIKey:ZYYUOHAAUTUUDP-UHFFFAOYSA-N
ID: 50105
SMILES:Oc1c2c(c3c(c1O)OC(CCCC(C(=O)OC)CCC(O)C(=C)C)(C)C(O)C3)OC(C)(C)C1CCC(C)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.727
CB1 binding score: -15.54
InChIKey:IVISBYBQWHATGJ-UHFFFAOYSA-N
ID: 50106
SMILES:C(CCC(C)(C)c1c2c(c(C)cc1O)C(OC)CC(C)=C2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.071
InChIKey:XQSHUFWSVCATHV-UHFFFAOYSA-N