ID: 53341
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(C)ccc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 53342
SMILES:CC(=C)C1C(c2c(OC(=O)C)cc(CCCCC)cc2OC)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.569
InChIKey:GAOXRUZOECBQIB-UHFFFAOYSA-N
ID: 53343
SMILES:O=C(C)Oc1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.391
InChIKey:OTJZOKCYEUGKBJ-UHFFFAOYSA-N
ID: 53344
SMILES:C1(C)=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: 53345
SMILES:C(C)(C1C(O)C=C(C)CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.143
InChIKey:DUIWSAKEXMMINZ-UHFFFAOYSA-N
ID: 53346
SMILES:O1C2CC(=CC1c1c(O)cc(CCCCCO)cc1O)C(C)=CC=CC(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.944
InChIKey:AIMIFMSFDFYJLC-UHFFFAOYSA-N
ID: 53347
SMILES:C1C2=C(c3c(O)cc(CCCCC)cc3OC2=C(C)C)C(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.855
InChIKey:WMWJXKXCMHJTLX-UHFFFAOYSA-N
ID: 53348
SMILES:C12(C)Oc3c(c(O)c(C(=O)O)c(CCC)c3)C(C)C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.107
InChIKey:KGUQGINRXIHYFM-UHFFFAOYSA-N
ID: 53349
SMILES:CC(CCC=C(C)C)=CCCC1(C)C=Cc2cc(O)cc(CC(C)OC)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.81
InChIKey:IHMAOZXBPUIRMV-UHFFFAOYSA-N
ID: 53350
SMILES:C(CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)CCCCCCCl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 447.103
CB1 binding score: -17.979
InChIKey:LTSYDVXFOWDOBO-UHFFFAOYSA-N
ID: 53351
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 53352
SMILES:c12c(O)cc(CC)cc1OC(CC1=CC(=O)C(C)(C)O1)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -14.981
InChIKey:LNKSLLTVKACSFB-UHFFFAOYSA-N
ID: 53353
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.912
InChIKey:PJYPSOHWTKTMLY-UHFFFAOYSA-N
ID: 53354
SMILES:c12cc(CCCCC)cc(O)c1CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 53355
SMILES:C1(C)(C)CC2(O)C(C1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -18.53
InChIKey:ZRVWIFXJPOMSNS-UHFFFAOYSA-N
ID: 53356
SMILES:C(CC(C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 53357
SMILES:c1(CC(=C)C2CC=C(C)CC2)cc(CCCCC)cc(OC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -11.749
InChIKey:CBWBEVJTVPRVRD-UHFFFAOYSA-N
ID: 53358
SMILES:c1(CC)cc(O)cc2c1OC(C)(C)C1CCC(COC(CCC)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.284
InChIKey:RQPLPUNIFZDUGK-UHFFFAOYSA-N
ID: 53359
SMILES:CC(C)=CC(=O)c1c2c(c(O)c(C=CC(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.971
InChIKey:AJRZQCOMQPRMQL-UHFFFAOYSA-N
ID: 53360
SMILES:c12c(cc(C(C)(C)CCCCCC)cc1O)OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -13.097
InChIKey:VQFVXDABCMPMEO-UHFFFAOYSA-N
ID: 53361
SMILES:Cc1cc2c(cc1)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.138
InChIKey:APABPFIKYQOOQL-UHFFFAOYSA-N