ID: 120436
SMILES:C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)cc1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.35
InChIKey:ONUSETJNXRTNAA-UHFFFAOYSA-N
ID: 120437
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCc2cc(O)c(OC)cc2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.291
InChIKey:BIQTXXWXAWNQNX-UHFFFAOYSA-N
ID: 120438
SMILES:C1(=O)c2c(c(O)c(OCC)cc2C)C(CC(C)(O)C)C(c2c(O)cc(CCC)cc2O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.559
InChIKey:TWRDGNJHEAWDSB-UHFFFAOYSA-N
ID: 120439
SMILES:C(C(C)C)CCc1c(CC=C(C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 288.475
CB1 binding score: -16.788
InChIKey:OZPWZXLTGKRLHG-UHFFFAOYSA-N
ID: 120440
SMILES:O(c1c(C2C=C(C)CCC2C(C)=C)c(O)cc(C)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.99
InChIKey:JIAMDLHQCKSETM-UHFFFAOYSA-N
ID: 120441
SMILES:C1(=C)CC2C(C)(CC1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.323
InChIKey:GVMJGENNECFJCO-UHFFFAOYSA-N
ID: 120442
SMILES:Cc1c(-c2cc(C(C)(C)C)cc3c2CC2C(C)(O3)CCC(C(OC)(C)C)CC2)cc(O)c(O)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -15.754
InChIKey:VIISJDRSEAYKEX-UHFFFAOYSA-N
ID: 120443
SMILES:CC(C1CCC(=C)C2C1c1c(OC)cc(CCCCC)cc1OC2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -13.99
InChIKey:UBMPXUIJGWSABQ-UHFFFAOYSA-N
ID: 120444
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2ccc(OC(=O)C)c3O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.804
InChIKey:WSGIBTMCEWSWOW-UHFFFAOYSA-N
ID: 120445
SMILES:C(=C(CCC(C(=C)C)O)C)Cc1c(O)cc(CCCCC)c(C(=O)O)c1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.237
InChIKey:AWBLHBFYTPSSRN-UHFFFAOYSA-N
ID: 120446
SMILES:C(c1cc(O)cc2c1OC(C)(CCC=C(C)C)C=C2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.801
InChIKey:FWKAYWJIWFELSA-UHFFFAOYSA-N
ID: 120447
SMILES:O(c1cc(C)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -19.478
InChIKey:WLKIXSCTQBBZSZ-UHFFFAOYSA-N
ID: 120448
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(CO)C(O)CC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.43
InChIKey:MSKYCQDOUPEXMI-UHFFFAOYSA-N
ID: 120449
SMILES:COc1c(OC(=O)C)ccc(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.438
InChIKey:PDPBOUMLMIQFMU-UHFFFAOYSA-N
ID: 120450
SMILES:CC(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1C(C(C)C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.594
CB1 binding score: -13.232
InChIKey:GISOQTKGBGGARN-UHFFFAOYSA-N
ID: 120451
SMILES:C(C1CC(C)=C(c2cc(CCCCC)cc(OC)c2)CC1C)(=C)C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.57
InChIKey:AEPQLXDJYXKEMB-UHFFFAOYSA-N
ID: 120452
SMILES:C1CC(C)CC(c2c(O)cc(CCCCC[N+](C)(C)C)c(C=O)c2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.599
CB1 binding score: -17.864
InChIKey:RXBFXXODZJIJNN-UHFFFAOYSA-O
ID: 120453
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 120454
SMILES:c1(O)cc(C2C=C(C(=O)OC)CCC2C(=C)C)c(OC)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.869
InChIKey:CAHBYXSGOOLCKV-UHFFFAOYSA-N
ID: 120455
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 120456
SMILES:C1C2C3(C)CC(c4c(O)cc(CCCCC)cc4OC3O)C(C)CCC2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -14.61
InChIKey:UYQMSZBLGNBEGO-UHFFFAOYSA-N