ID: 108109
SMILES:c12c(cc(CCCCC)cc1OC(CCCCC)=O)CCC1C(C(OC)=O)(C)CCCC21C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.843
InChIKey:DUXGXZZKVPZXOW-UHFFFAOYSA-N
ID: 108110
SMILES:c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 108111
SMILES:c1(CCCCC)cc2c(c(C)c1)OC(CCCC(C)C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -11.046
InChIKey:BTNZZLROWCZKJR-UHFFFAOYSA-N
ID: 108112
SMILES:C(c1cc(O)c(CC=C(CCC=C(C(O)=O)CCC=C(C)C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merosesquiterpenoids
MW: 372.505
CB1 binding score: -17.165
InChIKey:NWJLBSQXUKMYRD-UHFFFAOYSA-N
ID: 108113
SMILES:c1(C(CO)(CO)OC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.39
InChIKey:ASPPVJVKLDRAHD-UHFFFAOYSA-N
ID: 108114
SMILES:c1(C(COCC)C)cc2c(cc1O)C1C(C(C)(C)O2)C(O)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 346.467
CB1 binding score: -16.268
InChIKey:MWRRRVKOAOADLX-UHFFFAOYSA-N
ID: 108115
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)C(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 108116
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 108117
SMILES:c1cc2c(c(C(=O)O)c1CCCC(C)(C)O)-c1c(OC)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -13.964
InChIKey:WKXWLVMPWSLDDJ-UHFFFAOYSA-N
ID: 108118
SMILES:CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 108119
SMILES:C1(OC(=O)C)CC(CC=C(C)C)C(C)=CCC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.695
InChIKey:OJDBBZVOUFMCRI-UHFFFAOYSA-N
ID: 108120
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 108121
SMILES:C(c1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC12)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.595
InChIKey:GEIWRNDRXJJSPB-UHFFFAOYSA-N
ID: 108122
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C)(C)C1C(O)CC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.19
InChIKey:HGZHXUNEIVGLKP-UHFFFAOYSA-N
ID: 108123
SMILES:O1c2c(c(O)cc(CCCCC)c2)CC2C(C)(C)C1(C(OC)=O)C=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -11.784
InChIKey:LUUCQLGTQDAMEK-UHFFFAOYSA-N
ID: 108124
SMILES:C1(C)(C)C2C(C1=O)(c1c(O)cc(C)cc1O)CCC(CO)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.166
InChIKey:IROKYURFZFSPPP-UHFFFAOYSA-N
ID: 108125
SMILES:CC(=CCc1c(O)cc(CCC(=O)O)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 318.413
CB1 binding score: -18.016
InChIKey:OVJKPQKAIHSVBC-UHFFFAOYSA-N
ID: 108126
SMILES:c1c2c(c(OC)cc1CCCCC)OC(CCCC(C)(O)C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.149
InChIKey:GVSKEXFOTIZCQH-UHFFFAOYSA-N
ID: 108127
SMILES:C1CC2(C(C)(C)Oc3cc(CCCCC)cc(O)c32)OC(C(C)(O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.594
InChIKey:PINDPWZDJZTDSZ-UHFFFAOYSA-N
ID: 108128
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)c(C(CC(C)C)=O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.439
InChIKey:MMBSMBBFKYDYEQ-UHFFFAOYSA-N
ID: 108129
SMILES:Oc1cc(C)c2c3c1C(C)(Oc1c(c(C)cc4c1C=CC(C)(C)O4)C(O)C(C)(C)O3)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: -15.871
InChIKey:MVJJCPGJTDQSNH-UHFFFAOYSA-N