ID: 86962
SMILES:C(CCC)c1cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.35
InChIKey:ONUSETJNXRTNAA-UHFFFAOYSA-N
ID: 86963
SMILES:C12=C(CCCC1(C)C)Cc1c(O)cc(CCC)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.769
InChIKey:HVCKTDDNBGMDTJ-UHFFFAOYSA-N
ID: 86964
SMILES:C(CCC)Cc1c(C(O)C)c(O)c2c(c1O)C1CC(C)(CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.337
InChIKey:YWDSPAUBZPPNQT-UHFFFAOYSA-N
ID: 86965
SMILES:C1C2(OC(=O)c3c(CCCCC)cc4c(c3O)OC(C)(C)C3C4CC(C)(O)C23)CC=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -15.584
InChIKey:NEIXCALPFCPMBZ-UHFFFAOYSA-N
ID: 86966
SMILES:c1(C2C(C(C)C)CCC(C)C2)ccc(CCCCCC)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.556
CB1 binding score: -14.439
InChIKey:UTQFWBWSDXAZGP-UHFFFAOYSA-N
ID: 86967
SMILES:CC(CCCc1cc2c(cc1C)OC(C)(C)C1COC(C)C12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -13.966
InChIKey:KZHXIOMHSIRXIA-UHFFFAOYSA-N
ID: 86968
SMILES:C(CC(=CCOC1CCC(C)(C)C2C3(Oc4c(c(O)cc(CCCCC)c4)C3)C1)C(O)C(C)=C2)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.851
CB1 binding score: -13.983
InChIKey:RVJZHVWJHFLJAE-UHFFFAOYSA-N
ID: 86969
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(CO)(CC3OC(=O)C(C)C3)C1(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.998
InChIKey:NGUCNKDEJPAUIP-UHFFFAOYSA-N
ID: 86970
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c2c1C(=O)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.506
CB1 binding score: -15.138
InChIKey:CTWQPSZXJSZARZ-UHFFFAOYSA-N
ID: 86971
SMILES:C(c1c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.641
InChIKey:INOVQCBWGAGLBJ-UHFFFAOYSA-N
ID: 86972
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1)C1CCC2(C)CC2C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -16.181
InChIKey:KXJHADAMOOVOBY-UHFFFAOYSA-N
ID: 86973
SMILES:CN(Cc1c(O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 319.445
CB1 binding score: -13.041
InChIKey:OVKGNDKFFCMALN-UHFFFAOYSA-N
ID: 86974
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 86975
SMILES:c1c(O)c(C)cc2c1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 86976
SMILES:c1(CCCCC)cc(O)c2c(c1O)C1C=C(C(=O)OC)CCC1(C)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.351
InChIKey:ZDBKEJULKWYZHU-UHFFFAOYSA-N
ID: 86977
SMILES:C(CCC)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 86978
SMILES:c1(OC)c(C)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.728
InChIKey:STSYYWPNWSIEJI-UHFFFAOYSA-N
ID: 86979
SMILES:COc1c(CCCC)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.391
InChIKey:RKCCBHPKKBCFRH-UHFFFAOYSA-N
ID: 86980
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 86981
SMILES:c12c(c(CCCCC)cc(O)c1OC(C)=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.435
InChIKey:MDCCEIKDHSBFEF-UHFFFAOYSA-N
ID: 86982
SMILES:c1(O)cc(CCCCC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.296
InChIKey:SBDHCUZETSWOAX-UHFFFAOYSA-N