ID: 58822
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C(O)C1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -16.933
InChIKey:BHADEDJGFNEFEN-UHFFFAOYSA-N
ID: 58823
SMILES:c1(O)cc(O)c(C(=O)C(CC)C)c2c1OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -16.497
InChIKey:ZKHHEBNYDDGJEQ-UHFFFAOYSA-N
ID: 58824
SMILES:C1CC(C)=CCC12C(C)(C)Oc1c2c(O)cc(CCCCCC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.4
InChIKey:PEYHOQXXSBRFGN-UHFFFAOYSA-N
ID: 58825
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 58826
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -15.411
InChIKey:OSNMWXJCLXBQGM-UHFFFAOYSA-N
ID: 58827
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C(=O)O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.51
InChIKey:LVQZQKXEEYFSQO-UHFFFAOYSA-N
ID: 58828
SMILES:C1CC2(C)Oc3cc(CCCCC)cc(O)c3C3C2C(C1)C(C)C(=O)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.074
InChIKey:SUIPDSBXAFTWDU-UHFFFAOYSA-N
ID: 58829
SMILES:C(CCC(=CCc1cc(O)cc(CCCCC)c1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.009
InChIKey:XKWLUCZAWFMDAL-UHFFFAOYSA-N
ID: 58830
SMILES:c1(CC(O)CCC)c2c(cc(O)c1C(=O)CCCCC)OC(C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.356
InChIKey:ZZHSYWIRUBICMZ-UHFFFAOYSA-N
ID: 58831
SMILES:O=C(Cc1cc(O)c2c(c1O)OC(CCC=C(C)C)(C)C(O)C2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -14.987
InChIKey:VCAGWELKQIBDHG-UHFFFAOYSA-N
ID: 58832
SMILES:C(C)(C1C(COc2cc(CCCCC)cc(O)c2)C(C)CC1)CCCC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.636
CB1 binding score: -13.589
InChIKey:OPTZJHBLEYGHGV-UHFFFAOYSA-N
ID: 58833
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)C(O)C1CC(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.546
InChIKey:ZEUYPLTYGLDAQI-UHFFFAOYSA-N
ID: 58834
SMILES:C(C)(C)C1C2(C(C)C(OC(C)=O)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.894
InChIKey:CKXJRENEGPOVKO-UHFFFAOYSA-N
ID: 58835
SMILES:CC(=CCc1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)C(OC(C)=O)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -12.846
InChIKey:HJWGMMORWUFADG-UHFFFAOYSA-N
ID: 58836
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C(OC(=O)C)C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.808
CB1 binding score: -15.783
InChIKey:UOUQWMWAXDQAJE-UHFFFAOYSA-N
ID: 58837
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -21.105
InChIKey:SVTKBAIRFMXQQF-UHFFFAOYSA-N
ID: 58838
SMILES:C(CC(=CCCC(C)=CCc1c(O)cc(CC(=O)O)cc1OC)C)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.758
CB1 binding score: -16.851
InChIKey:FVYAHPYVTWEEAR-UHFFFAOYSA-N
ID: 58839
SMILES:C1=CC(O)(C)CCC12C(C)Cc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.239
InChIKey:ZQZDLJAIGUSFAA-UHFFFAOYSA-N
ID: 58840
SMILES:C(CO)CCCc1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.316
InChIKey:FZPHGEPELQNANW-UHFFFAOYSA-N
ID: 58841
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 58842
SMILES:O(C(=O)C1C(C2(C)CCCC(C)(C)C2)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C3C21C(OC)=CC(C)(C)O3)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 608.86
CB1 binding score: -15.441
InChIKey:QXAFBBYQRGWOBM-UHFFFAOYSA-N