ID: 17389
SMILES:Oc1c2c(cc(O)c1CCCCC)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -16.742
InChIKey:MTECKHYFYOFDGE-UHFFFAOYSA-N
ID: 17390
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C(O)=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -18.687
InChIKey:RUDAUXBQLBAKOW-UHFFFAOYSA-N
ID: 17391
SMILES:C1C(Br)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.262
CB1 binding score: -18.565
InChIKey:QNWMKTBWRYYNDW-UHFFFAOYSA-N
ID: 17392
SMILES:OC1(C)CCC(C(=C)C)C1c1c(C=O)ccc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.636
InChIKey:GVCCISNRLVCIAG-UHFFFAOYSA-N
ID: 17393
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 17394
SMILES:C1(C(C)C)C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.246
InChIKey:XHVVIFQCBQBUEK-UHFFFAOYSA-N
ID: 17395
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 17396
SMILES:c1(C)c(C)c2c(c(C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -17.088
InChIKey:YIWJWHPQCJBNFE-UHFFFAOYSA-N
ID: 17397
SMILES:CCC(O)CCc1cc2c(c(O)c1)C1C(CCC(O)(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.329
InChIKey:LONMOIMGNMKWBE-UHFFFAOYSA-N
ID: 17398
SMILES:C(C)c1cc(O)c2c(c1)OC(C)(CO)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -12.847
InChIKey:SHARQKYFHVSVGA-UHFFFAOYSA-N
ID: 17399
SMILES:C12CCC(C)=CCC1(O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.383
InChIKey:HVTSZVDTGXCSKP-UHFFFAOYSA-N
ID: 17400
SMILES:c12cc(O)ccc1OC(C)(C)C1C2C(O)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -15.929
InChIKey:YRNUEHPHVLVURD-UHFFFAOYSA-N
ID: 17401
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CCC1)C=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -14.373
InChIKey:IWPDIPOFAZEIKO-UHFFFAOYSA-N
ID: 17402
SMILES:C(C)(C)(OO)C1CCC(C)(C2C3C(C)(CC2)Oc2c(c(O)cc(CCCCCC)c2)C3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.683
CB1 binding score: -13.513
InChIKey:BKAHIDKEBABDKR-UHFFFAOYSA-N
ID: 17403
SMILES:C1C2(O)C(=CC=C2)COc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -12.172
InChIKey:HVDCWXOGKVTLRZ-UHFFFAOYSA-N
ID: 17404
SMILES:CC1(C)C2CCC(C)=CC2c2c(OC(=O)C)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 17405
SMILES:O=C1C(CC=C(C)C)(C)C(CO)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.048
InChIKey:VFDRHQGTEIWAEG-UHFFFAOYSA-N
ID: 17406
SMILES:C(C)(C1CCC(C)=CCCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.849
InChIKey:DOLUGXOFJNOLJJ-UHFFFAOYSA-N
ID: 17407
SMILES:C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.09
InChIKey:MOGXJOHEBSGEPO-UHFFFAOYSA-N
ID: 17408
SMILES:C1CC(=C)C2(Oc3c2c(OC)cc(CCCCC)c3)C2(C)C1C(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.415
InChIKey:JRUOSGVLCFNXNT-UHFFFAOYSA-N
ID: 17409
SMILES:C(CCCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N