ID: 1114
SMILES:C12(C)C(C)C(C)CCC1c1c(cc(CCCCC)c(C(=O)O)c1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.073
InChIKey:WNYAQRUTWCQLFZ-UHFFFAOYSA-N
ID: 1115
SMILES:OC(c1c(CCCCC)cc2c(c1O)C1C(C(O)(C)C)CCC(C)(O2)C1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -13.877
InChIKey:OKHSSPSTUULKBF-UHFFFAOYSA-N
ID: 1116
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.422
InChIKey:LABMCTIAZNCACZ-UHFFFAOYSA-N
ID: 1117
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 1118
SMILES:c1(CCCCCC)cc(OC)c2c(c1CO)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.595
InChIKey:RRNHIOQZTQEOFK-UHFFFAOYSA-N
ID: 1119
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C(C1C(OC)C(O)C(O)C(COC(=O)C)O1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.571
CB1 binding score: -15.328
InChIKey:URFVJKNQHFKARF-UHFFFAOYSA-N
ID: 1120
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 1121
SMILES:CC1(C)Oc2c(c(O)cc(CCc3ccccc3)c2)C2CC(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -17.412
InChIKey:XVJQRVZNXSHVIF-UHFFFAOYSA-N
ID: 1122
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 1123
SMILES:C(CCCCCC)(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.949
InChIKey:AZLHYKZOYYZNCM-UHFFFAOYSA-N
ID: 1124
SMILES:C1CC2(c3c(c(C(O)=O)cc(CCCCCC)c3)OC2(C)C)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.656
InChIKey:XRIMPRKFENITIJ-UHFFFAOYSA-N
ID: 1125
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 1126
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 1127
SMILES:C(CC(O)CC)CCC(C)c1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -16.545
InChIKey:KIDYKIHFUPTICV-UHFFFAOYSA-N
ID: 1128
SMILES:Oc1ccc2c(c1-c1c(O)c(O)c(O)c(CC=C(CCC=C(C)C)C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -15.926
InChIKey:DWMTWUOLXYAXJE-UHFFFAOYSA-N
ID: 1129
SMILES:C(=O)(O)C1=CC2C(C)(CC1)C(OC(=O)C)C1c3c(O)cc(C)cc3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -13.272
InChIKey:VYLVJTZULQPIJQ-UHFFFAOYSA-N
ID: 1130
SMILES:c1(CCCCC)c(O)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.83
InChIKey:COAKPZCTWBXPLE-UHFFFAOYSA-N
ID: 1131
SMILES:c1c2c(cc(C)c1)OC(C)(C)C1CC(=O)C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 258.361
CB1 binding score: -16.502
InChIKey:PSEYYNAVIQVGQB-UHFFFAOYSA-N
ID: 1132
SMILES:C(CNC)Cc1c2c3c(c(O)c(OC4C=C(C)CC1C)O4)cc3C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 465.634
CB1 binding score: Not available
InChIKey:PVEIKYSWOWMBQA-UHFFFAOYSA-N
ID: 1133
SMILES:CC(C)(O)C1C=CC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.231
InChIKey:XQFSVTSQVUDTNM-UHFFFAOYSA-N
ID: 1134
SMILES:C(C(C)=O)(c1cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.897
CB1 binding score: -15.213
InChIKey:YIAVAZWLHNMNBM-UHFFFAOYSA-N