ID: 111091
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 111092
SMILES:C1=C(C)C(O)CC(c2c(O)cc(CCCCC)cc2OC)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.24
InChIKey:VQROHVATYRQILD-UHFFFAOYSA-N
ID: 111093
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 111094
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C(O)C2)C1C2=C(C(=O)CC2)CC(OC(CCC)=O)C1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -16.278
InChIKey:JMMLZMKBWHRBGC-UHFFFAOYSA-N
ID: 111095
SMILES:CC1(C)CCCC2(C)C1=Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.786
InChIKey:QPCFTNDVWGACOB-UHFFFAOYSA-N
ID: 111096
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCCC)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 111097
SMILES:C1C(O)C(C)=CC2c3c(cc(CCCCC)cc3OC2(C)CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.901
InChIKey:PBBSGPGDGBLSRC-UHFFFAOYSA-N
ID: 111098
SMILES:c12c(c(O)cc(CCCCC)c1)C(C)(C)C(C(=C)C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.584
InChIKey:WMWCQAXGPDWSSX-UHFFFAOYSA-N
ID: 111099
SMILES:C(=CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C=CC(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -17.427
InChIKey:OPHSFPZIADSTHE-UHFFFAOYSA-N
ID: 111100
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 111101
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 111102
SMILES:c1(C2C(=O)c3c(cc(CCCC)cc3OC)O2)c(O)cc(OC)c2c1OC(CCC=C(CCC=C(C)C)C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.747
CB1 binding score: -11.971
InChIKey:WRGUTPXVNRHTQL-UHFFFAOYSA-N
ID: 111103
SMILES:C12C=C(C(C)C)CCC3(C)Oc4c(O)cc(CCCCC)cc4C13CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.407
InChIKey:UTQQBJKDMSSNGN-UHFFFAOYSA-N
ID: 111104
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCC)cc2OC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.099
InChIKey:NBMJMYIBJIBJAJ-UHFFFAOYSA-N
ID: 111105
SMILES:O1C(C)(C)C2Oc3c4c(c(CCCCC)cc3OC2=O)OC(C)(CC4)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.418
InChIKey:CEDNVGZBSMULJV-UHFFFAOYSA-N
ID: 111106
SMILES:C1(Oc2cc(CCC)ccc2O)C(C(C)=C)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.306
InChIKey:SEYPFGNSAVNWII-UHFFFAOYSA-N
ID: 111107
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(CC=C(C)C)C(C)(C)C(O)CCC2(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.229
InChIKey:DHYZJXBWCYJWTM-UHFFFAOYSA-N
ID: 111108
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: 111109
SMILES:C1CC2(C)Oc3cc(CCCCC)cc(C(C)(C)C=C)c3CC2(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -13.252
InChIKey:RNAOSELKFNISMT-UHFFFAOYSA-N
ID: 111110
SMILES:c12c(CC=C(C)C)c(O)c(CCc3ccc(O)cc3)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.604
CB1 binding score: -12.287
InChIKey:PCWDULCJCKCTRH-UHFFFAOYSA-N
ID: 111111
SMILES:O=C1C(C)=CC2c3c(cc(C)c(O)c3)OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 272.344
CB1 binding score: -17.952
InChIKey:CLFHOLPMPFYSHV-UHFFFAOYSA-N