ID: 58801
SMILES:CC(=C)C1CCC(C)=CC1c1c(OC)ccc(CCN(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 58802
SMILES:Oc1c2c(c(C=O)c(CCCCC)c1)OC1C3C4C(C)(CCC3C(C)(C)O4)OOC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.597
InChIKey:ZYPJXISSMIPMQJ-UHFFFAOYSA-N
ID: 58803
SMILES:CC1=CCC(=C(C)C)C(c2c(O)c(C(=O)OC)c(O)c(CC=C(CCC=C(C)C)C)c2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.824
InChIKey:CNEDXJQWEYEUNC-UHFFFAOYSA-N
ID: 58804
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 58805
SMILES:C(C)(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)CCCC(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -14.605
InChIKey:YYQPEAZIKKAVQR-UHFFFAOYSA-N
ID: 58806
SMILES:C(CC(C(C)=CC)=O)C(C)=CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -18.124
InChIKey:WXFWUVFOHWKEQI-UHFFFAOYSA-N
ID: 58807
SMILES:Cc1c2c(ccc1C)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.241
InChIKey:AHUCYLKWRFGGEY-UHFFFAOYSA-N
ID: 58808
SMILES:C1C2C(CCC(C)=C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -2.762
InChIKey:ZLFMJKNVBSWRDJ-UHFFFAOYSA-N
ID: 58809
SMILES:C1CCC(C)(C)Oc2c(c(O)cc(CCCC)c2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.687
InChIKey:LMQJYKOXQMLEHG-UHFFFAOYSA-N
ID: 58810
SMILES:C1(C)=CC(c2c(O)ccc(CCN(C)C)c2)C(C(C)=C)CCC(C)=CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.577
CB1 binding score: -15.433
InChIKey:GZCYNNHHMSJFPG-UHFFFAOYSA-N
ID: 58811
SMILES:c1(O)cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.751
InChIKey:YUNACYGUZDCYON-UHFFFAOYSA-N
ID: 58812
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -15.568
InChIKey:ZLCLIEZLKCYCHJ-UHFFFAOYSA-N
ID: 58813
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.818
InChIKey:ZHKVVCCXKGADKK-UHFFFAOYSA-N
ID: 58814
SMILES:c12c(O)ccc(O)c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.145
InChIKey:YJSPCCRFFZMYHY-UHFFFAOYSA-N
ID: 58815
SMILES:C1C(C)=CC(=O)C=C(C)CCC(C(=C)C)-c2c(O)cc(CCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.965
InChIKey:XLHTVBFYOFPOTF-UHFFFAOYSA-N
ID: 58816
SMILES:C1CC2(C)C(CC=C(C)C2c2c(O)cc(CCCCC)cc2O)C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -17.222
InChIKey:MDIZAPYMZNQFRO-UHFFFAOYSA-N
ID: 58817
SMILES:C(C)(C1C(c2c(O)cc(CCCCC)cc2O)CC(CO)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.052
InChIKey:MMEWFWWQGITDLK-UHFFFAOYSA-N
ID: 58818
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 58819
SMILES:CC1(C)Oc2c(ccc(CCCCC)c2OC(C)C)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.445
CB1 binding score: -13.695
InChIKey:LOXLWMPBVDKKHQ-UHFFFAOYSA-N
ID: 58820
SMILES:C123C=C(C(C)C)C1c1c(O)cc(CCCCC)cc1OC2(C)CC=CC(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.466
InChIKey:BDKZXANQQJGUMD-UHFFFAOYSA-N
ID: 58821
SMILES:C1Oc2cc(CCCCC)cc3c2C1C(C)(C)C1CCC(C)=CC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -12.394
InChIKey:LYYMVSZWUALTAJ-UHFFFAOYSA-N