ID: 68167
SMILES:O1C(C)(C)CC(O)CC(C)C12Oc1c(-c3ccc(O)cc3)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.502
InChIKey:LHASWUZQHSTPCL-UHFFFAOYSA-N
ID: 68168
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(CO)CCC1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.17
InChIKey:FCZDEUDSQIKHIC-UHFFFAOYSA-N
ID: 68169
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(CCC(O)C(=C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.976
InChIKey:RLZWKEBGPMEEBF-UHFFFAOYSA-N
ID: 68170
SMILES:CC1(C)C2(C(=C)CC(O)C1Br)Cc1c(c(C(O)=O)c(CCCCC)cc1O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.373
CB1 binding score: -15.092
InChIKey:JGKLZPPYHXKRHP-UHFFFAOYSA-N
ID: 68171
SMILES:c1(C2C(C(C)=C)C(c3cc(CCN(C)C)ccc3OC)C=C(C)C2)ccccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.582
CB1 binding score: -15.415
InChIKey:FNMQDSGSJAVZCV-UHFFFAOYSA-N
ID: 68172
SMILES:c1(OC)c(O)c2c(c(C=O)c1CC=C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.713
InChIKey:LPICRBJGFYJUKZ-UHFFFAOYSA-N
ID: 68173
SMILES:c1c([N+](=O)[O-])c(CCCCC)cc(O)c1C1C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 345.483
CB1 binding score: -14.186
InChIKey:SOWZKRZBISCEDI-UHFFFAOYSA-N
ID: 68174
SMILES:c1c(-c2ccc(O)c(CC=C)c2)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -14.617
InChIKey:FTBRWNYRELSDNH-UHFFFAOYSA-N
ID: 68175
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.481
InChIKey:YGQOYJUFZSNESF-UHFFFAOYSA-N
ID: 68176
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 68177
SMILES:CC12CCCC(C)(C)Oc3c(c(O)cc(CCCCC=CCO)c3)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.609
InChIKey:ZEIKHOFGPATUTA-UHFFFAOYSA-N
ID: 68178
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.797
InChIKey:UQOUHXDCXBITSF-UHFFFAOYSA-N
ID: 68179
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 68180
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(O)(CCC=C(C)C)C)OC(C)(C2O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.588
InChIKey:NXWBLSGFFKDGHS-UHFFFAOYSA-N
ID: 68181
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(O)C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -13.681
InChIKey:IXPVISNPIBJBOE-UHFFFAOYSA-N
ID: 68182
SMILES:COc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 68183
SMILES:C1(CCC(=O)C(C)C)(C)Oc2cc(C)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.603
InChIKey:BSRDRGNGEACXEW-UHFFFAOYSA-N
ID: 68184
SMILES:C12c3c(cc(CCCCC)cc3O1)OC(C)(C)C1C2=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.052
InChIKey:WXBZHMKEWFPEOY-UHFFFAOYSA-N
ID: 68185
SMILES:CC1(C)C2CCC(C)=CC2c2c(OC)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 68186
SMILES:O1c2cc(CCCCC)c(O)c(OC)c2C2C3(C)C1C(C)(C)CCC3OC(CC)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.244
InChIKey:QQOAGJYRSRDZCA-UHFFFAOYSA-N
ID: 68187
SMILES:Oc1cc(O)c2c(c1C(C(C)C)=O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.112
InChIKey:TUNOEAVIRBVUIF-UHFFFAOYSA-N