ID: 55105
SMILES:C1CC2c3c(cc(CCCCC)cc3O)OC3CC(=C1C)C32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -14.79
InChIKey:GMAOIDLMWQPMBF-UHFFFAOYSA-N
ID: 55106
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)CCC(C)C)(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.879
InChIKey:SVOCMGDXWDNMEK-UHFFFAOYSA-N
ID: 55107
SMILES:C(C(=O)C)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.179
InChIKey:NOOMXXGESVBYII-UHFFFAOYSA-N
ID: 55108
SMILES:Clc1cc(O)c(C2C(C(C)=C)CC(O)C(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.778
CB1 binding score: -14.035
InChIKey:QALBECUVDHHRQF-UHFFFAOYSA-N
ID: 55109
SMILES:C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCOC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.278
InChIKey:JWXUJXSYZKUUAN-UHFFFAOYSA-N
ID: 55110
SMILES:C(Cc1cc(O)c2c(c1C)OC(C)(C)C1CCC(C)=CC21)CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.487
InChIKey:RXWXYRJNIOSRSL-UHFFFAOYSA-N
ID: 55111
SMILES:C1(=O)CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.527
InChIKey:WYFCQJPVNOIHMM-UHFFFAOYSA-N
ID: 55112
SMILES:C(CC(=CCc1c(O)c(C(O)=O)c(CCCCC)c(O)c1O)C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.121
InChIKey:BFEHHEMMLFJWGJ-UHFFFAOYSA-N
ID: 55113
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C2(CCC=C(COC(=O)C)C)C)C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.078
InChIKey:GQOUDVCXYYSZSM-UHFFFAOYSA-N
ID: 55114
SMILES:OC(=O)CC1CC(C(C)C)C(c2c(OC)ccc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.383
InChIKey:XIPFEBUHEFFHLF-UHFFFAOYSA-N
ID: 55115
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.943
InChIKey:SUUVNSRUANJOLP-UHFFFAOYSA-N
ID: 55116
SMILES:C1=C(C)CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 55117
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)(O)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 55118
SMILES:C(C)(=CCc1c(O)c(CCCCC)cc(O)c1)CCC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 332.484
CB1 binding score: -16.079
InChIKey:GHVQEMOFFZFMBN-UHFFFAOYSA-N
ID: 55119
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1c-2cc(C=O)c(O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -15.929
InChIKey:JYLLMONITQPJGH-UHFFFAOYSA-N
ID: 55120
SMILES:C1=C(C)CCC(O)C(C)(C)Oc2c(CCCC)c(C(=O)O)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.507
InChIKey:WEAVUXGOYVIYMX-UHFFFAOYSA-N
ID: 55121
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.431
InChIKey:MPYZLGRISYKSDV-UHFFFAOYSA-N
ID: 55122
SMILES:c1(O)c2c(c(OC)cc1)OC(C)(C)C1CC=C(C(OC)=O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -12.859
InChIKey:PNQMAKSHMOFOTL-UHFFFAOYSA-N
ID: 55123
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 55124
SMILES:C1C(C)(O)CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.123
InChIKey:VSZQEUYHLCIKBY-UHFFFAOYSA-N
ID: 55125
SMILES:C1(C)(C=CC=C(C)C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C(CC(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.829
InChIKey:IKAKZMFACULMMY-UHFFFAOYSA-N