ID: 49771
SMILES:C(=C(CCC=C(C)C)C)COc1cc(C)cc(Oc2cc(CCCCC)cc3c2C(=O)C(C)=CC3=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.679
CB1 binding score: -12.521
InChIKey:IKZGHXZHPHPKOH-UHFFFAOYSA-N
ID: 49772
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(OC)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 49773
SMILES:C(=O)(CCCCCCCC(CCO)OCc1c2c(c(O)c(C)c1O)OC(C)(C)C1C2C=C(C)CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.664
CB1 binding score: -15.386
InChIKey:IUDKIOMVAJUVHQ-UHFFFAOYSA-N
ID: 49774
SMILES:C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 49775
SMILES:O(Cc1c2c(c(OC)cc1CO)OC(C)(C)C1C2C=C(C)C(=O)C1)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -9.493
InChIKey:XDCLODRTANUYGT-UHFFFAOYSA-N
ID: 49776
SMILES:c1(CCC)c(O)c(C2CC(C)=CCC2C(C)=C)c(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.572
InChIKey:VWYMGXSUFRCJLI-UHFFFAOYSA-N
ID: 49777
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 49778
SMILES:OCC(c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2)(C=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.289
InChIKey:KJOWQENSMYYWBQ-UHFFFAOYSA-N
ID: 49779
SMILES:CC12CC(c3c(O)cc(CCCCC)cc3O1)C(C(O)(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.374
InChIKey:AGQQOPYCVAWCIU-UHFFFAOYSA-N
ID: 49780
SMILES:C1(CO)=CC2C(C(C)(C)Oc3c2c(OC)cc(OC)c3C=O)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.077
InChIKey:SIRYHINIVVABQX-UHFFFAOYSA-N
ID: 49781
SMILES:C(O)CCc1cc(O)c(CC=C(C)CC(O)C2OC2(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -11.782
InChIKey:FUIVOUBOHXBNBM-UHFFFAOYSA-N
ID: 49782
SMILES:CCCCCc1cc(O)cc2c1C1=C(C(C)(C)O2)CCC2(C)OC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.091
InChIKey:QHWRYXRUBBHPBS-UHFFFAOYSA-N
ID: 49783
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 49784
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -19.67
InChIKey:QXOBJECFIJLBPW-UHFFFAOYSA-N
ID: 49785
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -16.01
InChIKey:IVWVGHOMHDXSMT-UHFFFAOYSA-N
ID: 49786
SMILES:C1(=C(C)C)CCC(C)(O)CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.36
InChIKey:USPYISQNCOWQNM-UHFFFAOYSA-N
ID: 49787
SMILES:CC1CC2c3c(O)cc(CCCCC)cc3OCC2=CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.865
InChIKey:JAWVMTIYOOFTLL-UHFFFAOYSA-N
ID: 49788
SMILES:C1CC(C)C23Oc4c(c(O)cc(CCC)c4)C2C(C1C=C(C)C)CC(C)=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -16.751
InChIKey:CGVMIXUHVGEHBV-UHFFFAOYSA-N
ID: 49789
SMILES:C1CC(C)(C)C2(C)CC13c1c(cc(CCCCC)c(C(=O)O)c1O3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.887
InChIKey:OBWZZVFDOSCIGR-UHFFFAOYSA-N
ID: 49790
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(=C)C)C(=O)CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.354
InChIKey:OIAXRHJWOLIDTA-UHFFFAOYSA-N
ID: 49791
SMILES:C1(O)C(O)(CO)C2C3c4c(O)cc(C)cc4OC(C)(C)C3CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -14.585
InChIKey:KTYUYPHUBJOANO-UHFFFAOYSA-N