ID: 110419
SMILES:C12CC=C(C)C=C1c1c(cc(CCCCC)cc1OC(C(F)(F)F)=O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.46
CB1 binding score: -15.706
InChIKey:VIAFAFJJEUCPKH-UHFFFAOYSA-N
ID: 110420
SMILES:C12C(CCC(=C)C(O)CCC(C)=C1)C(C)(C)Oc1c2cc(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.88
InChIKey:KJRYTDUAFGICFY-UHFFFAOYSA-N
ID: 110421
SMILES:C1(C(=CCC2OC2(C)C)C)CC(=C(C)C)C(c2c[nH]c3ccccc23)CC1(C)CCC(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.662
CB1 binding score: -13.788
InChIKey:TYYLQSFKBPPEFY-UHFFFAOYSA-N
ID: 110422
SMILES:C1CCC(C(=O)c2c(O)cc(CCCCC)cc2O)(C)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -13.315
InChIKey:AVAUDLFLXDYSET-UHFFFAOYSA-N
ID: 110423
SMILES:C(C)(CC(=O)C=C(C)C)=CCc1c(O)cc(CCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 316.441
CB1 binding score: -16.724
InChIKey:DOZWCACWQNICBS-UHFFFAOYSA-N
ID: 110424
SMILES:CC12CC(C)=CC(c3c(cc(C)cc3O)C1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -13.949
InChIKey:BHCAAICRHHLRDF-UHFFFAOYSA-N
ID: 110425
SMILES:C(C(C)=C)=CCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.021
InChIKey:VLYQDXGNLLKISO-UHFFFAOYSA-N
ID: 110426
SMILES:C(CCc1cc(C=O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.415
InChIKey:MPRWSDMHCMSLPU-UHFFFAOYSA-N
ID: 110427
SMILES:COc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 110428
SMILES:COc1c(O)cc2c(c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.792
InChIKey:PTRUQZFKQPKEPN-UHFFFAOYSA-N
ID: 110429
SMILES:C(C)(=O)c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -16.679
InChIKey:LEPGTSLDLOUCEW-UHFFFAOYSA-N
ID: 110430
SMILES:C1(O)C(O)(C)CCC2C(C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.352
InChIKey:LGVIZSBMRKDNDJ-UHFFFAOYSA-N
ID: 110431
SMILES:C1CC(C(O)(C)C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -18.012
InChIKey:BWTXRXWJBUBROE-UHFFFAOYSA-N
ID: 110432
SMILES:C(C)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 110433
SMILES:C12C(OC3(C1C)C1C(CC(C)(C)C1)C(C)C3)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.551
InChIKey:KSCQDJQMYNNCGR-UHFFFAOYSA-N
ID: 110434
SMILES:C(C(=O)Oc1cc2c(cc1C(=O)C)CC(C(C(OC)=O)(C)C)CC2)(C(=CCCC(C)=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 590.757
CB1 binding score: -15.395
InChIKey:ZWYFFNOMTPDROH-UHFFFAOYSA-N
ID: 110435
SMILES:CCc1c(OC)c2c(cc1C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.503
InChIKey:TZGSFMITPZZCMZ-UHFFFAOYSA-N
ID: 110436
SMILES:c1(O)c2c(c(O)cc1CCCCC)C1(OCC=C(C)CCC=C(C)C)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -17.389
InChIKey:CNFXABKABWSJAL-UHFFFAOYSA-N
ID: 110437
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 110438
SMILES:O=C(c1c(C(=O)OCC)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -14.605
InChIKey:BCSIMDIVQYXYJJ-UHFFFAOYSA-N
ID: 110439
SMILES:CC(=O)OCCc1cc(OC(=O)CCC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.924
InChIKey:HTPRVXIWZQZUGA-UHFFFAOYSA-N