ID: 112792
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 112793
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112794
SMILES:c1(C#C)cc(O)c(CC=C(CCC=C(C)C)C)cc1C(C1CC(=O)C(C)(C)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.619
InChIKey:FJUWGOCQIQUCSE-UHFFFAOYSA-N
ID: 112795
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112796
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C3C(O)CCC3C2(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.438
InChIKey:JTPICIHWKWJGLA-UHFFFAOYSA-N
ID: 112797
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1C(O)(C)C(=O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.401
InChIKey:SDUUHPHZJCCIKI-UHFFFAOYSA-N
ID: 112798
SMILES:C12C(C(C)C)=CCC1(C)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.471
InChIKey:KNTUYQSDTDMEGR-UHFFFAOYSA-N
ID: 112799
SMILES:Oc1cc(CC=C(CCC=C(C)C)C)c(OC(=O)C)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.067
InChIKey:BAMCGFZBXKUVCB-UHFFFAOYSA-N
ID: 112800
SMILES:C1(C)=CCC(C(C)(C)O)CC1c1c(O)c(CC=C(C)C)cc(C(CCCC(C)CCCC(C)=O)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.775
CB1 binding score: -14.221
InChIKey:UQLVWBHGRLEMBU-UHFFFAOYSA-N
ID: 112801
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.108
InChIKey:PPZWAHLWZVOCDJ-UHFFFAOYSA-N
ID: 112802
SMILES:CC(C1=CC(=O)C2(C)Oc3cc(CCCCC)cc(O)c3C2C1CC(=O)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.79
InChIKey:QGCZPZGQIAXQBA-UHFFFAOYSA-N
ID: 112803
SMILES:c1(CC(C(O)(C)C)CC=C(C)C)ccc2c(c1)OC(C)(C)C(OC)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.093
InChIKey:QWUFQUYWNRSCCQ-UHFFFAOYSA-N
ID: 112804
SMILES:C1C(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -18.56
InChIKey:WDIGYVVQJHWNTA-UHFFFAOYSA-N
ID: 112805
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.499
InChIKey:CDCJUBPCFJBDNF-UHFFFAOYSA-N
ID: 112806
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.949
InChIKey:QNRSRQLQOLFRRN-UHFFFAOYSA-N
ID: 112807
SMILES:C12C(C)(C)CC=CC1(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -16.438
InChIKey:SMLKHHNMHNXYKB-UHFFFAOYSA-N
ID: 112808
SMILES:CC1(O)CCC2C(C)(C)Oc3c(cc(CCCCC)c(C(=O)O)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.613
InChIKey:ICALBJJTUQKHCC-UHFFFAOYSA-N
ID: 112809
SMILES:c1(CC(C(=O)O)O)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -17.587
InChIKey:FFSCZLCDCJYJHR-UHFFFAOYSA-N
ID: 112810
SMILES:C12C(C)C(=O)CC1C(C)(C)Oc1c2c(OC)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.843
InChIKey:CWHWPLSANSIRFH-UHFFFAOYSA-N
ID: 112811
SMILES:c1(OC)cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.99
InChIKey:JIAMDLHQCKSETM-UHFFFAOYSA-N
ID: 112812
SMILES:CCCc1cc(O)c(O)c2c1C(=O)CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.439
InChIKey:MTZIOMRAGJPGPF-UHFFFAOYSA-N