ID: 62119
SMILES:CC1(O)CCC(C(c2c(OC(C)=O)c(OCC=C(C)C)cc(CCCCC)c2)=O)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -15.203
InChIKey:LAYNOHIURXSKCB-UHFFFAOYSA-N
ID: 62120
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC=C(C)C)(CC2(C)O)OC(=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.254
InChIKey:QDYFQENKSKKVNH-UHFFFAOYSA-N
ID: 62121
SMILES:C1(CCC(C(=O)O)O)=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.511
InChIKey:QIHUCINXAFBEOK-UHFFFAOYSA-N
ID: 62122
SMILES:C12(C)C=C(C)C(=O)CC1(O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.987
InChIKey:BXUMJTRKGNZVFZ-UHFFFAOYSA-N
ID: 62123
SMILES:CC(C1(C)C2(CC(=O)CC2)c2c(cc(CCCCC)cc2O)O1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.26
InChIKey:WTXPRTYZLHOOBP-UHFFFAOYSA-N
ID: 62124
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC(OC(=O)CC(C)C)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -14.692
InChIKey:OUKBIIBNPGUFOI-UHFFFAOYSA-N
ID: 62125
SMILES:c1(CCC)cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -16.449
InChIKey:LKADTOARHRWCAE-UHFFFAOYSA-N
ID: 62126
SMILES:Oc1c(C=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.321
InChIKey:CMBFQSLUVVLKBC-UHFFFAOYSA-N
ID: 62127
SMILES:C1CC(=O)C2CCC(C)(C)C2CCC2(C)C(O2)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.98
InChIKey:YIGISQCLXFLGGP-UHFFFAOYSA-N
ID: 62128
SMILES:CC(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 62129
SMILES:O=C(c1c(CCCCC)cc(O)c2c1OC(CCC=C(C)C)(C)C(O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.265
InChIKey:XJGMQLWXCYXULR-UHFFFAOYSA-N
ID: 62130
SMILES:C(=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C=C1)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.298
InChIKey:OGFRNUIZBASQOW-UHFFFAOYSA-N
ID: 62131
SMILES:O1C(C)(CCC(C(C)(C)O)C)C=Cc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.62
InChIKey:BGVCDVIKGDZEPF-UHFFFAOYSA-N
ID: 62132
SMILES:O1C2OC(=O)c3c(c(O)c4c(c3)OC(C)(C)C4CC=C3C)CC1(C)OC1CC(=O)C(OC(CCC)=O)C21C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.582
CB1 binding score: -14.831
InChIKey:FJOWSBVZZFLOFU-UHFFFAOYSA-N
ID: 62133
SMILES:C(C)(=CCCC1(C)Oc2cc(C)cc(OC)c2C=C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.372
InChIKey:VRVBUCRQGHWYCT-UHFFFAOYSA-N
ID: 62134
SMILES:C1(=O)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -16.934
InChIKey:RBOFETJAAOBFKI-UHFFFAOYSA-N
ID: 62135
SMILES:CC(=CCCC(C)=CCc1c(O)c(C)cc(OC(C)=O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.522
InChIKey:PITQHPHVMREBJR-UHFFFAOYSA-N
ID: 62136
SMILES:O=C1C2C(CC(O)C2C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.035
InChIKey:IOMXIHYPXHHIKI-UHFFFAOYSA-N
ID: 62137
SMILES:c1(O)c(C(C)C)c2c(c(C)cc1=O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.193
InChIKey:IDEODLJKHNKSFU-UHFFFAOYSA-N
ID: 62138
SMILES:CCCc1ccc(O)c(C2C=C(CCC=C(C)C)C(=O)CC2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.395
InChIKey:USTQCFUJQOAYIJ-UHFFFAOYSA-N
ID: 62139
SMILES:c12c(OC)cc(CCCCC)cc1OC(C)(C)C1(O)CC=C(C=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.434
InChIKey:DPMNKZPERMGNDV-UHFFFAOYSA-N