ID: 54244
SMILES:c1(CC(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.303
InChIKey:KWYGDRJJQMACCD-UHFFFAOYSA-N
ID: 54245
SMILES:N(C1=CC(=O)C2=C(C1=O)CC1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.413
CB1 binding score: -16.079
InChIKey:ITWVNCCEPZMLMS-UHFFFAOYSA-N
ID: 54246
SMILES:O=C(NC)Oc1c(C(OC)CCCCCCCCCCC)cc2c(c1)C1C(CCC3(C)OC3C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 529.762
CB1 binding score: -15.738
InChIKey:DCTDXOVIWDRHND-UHFFFAOYSA-N
ID: 54247
SMILES:C1=C(C)CC2c3c(cc(C)cc3O)OC1(CC=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.106
InChIKey:QADUUNIZKYCYSI-UHFFFAOYSA-N
ID: 54248
SMILES:c1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.248
InChIKey:UXCXUSWKXYPWPP-UHFFFAOYSA-N
ID: 54249
SMILES:C12C(C)(C)Oc3cc(COC4C(O)C(O)C(O)C(CO)O4)ccc3C1CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -12
InChIKey:XYKIJJFEODGQAS-UHFFFAOYSA-N
ID: 54250
SMILES:C1(C)=CCC2C(C)(C)Oc3c(cc(O)cc3)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.922
InChIKey:RHPUFQPZVXFHBN-UHFFFAOYSA-N
ID: 54251
SMILES:CC1(C)C2CCC(C)=CC2c2c(c(C(OC)=O)c(O)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -17.317
InChIKey:RDEIUWNDZAQWKD-UHFFFAOYSA-N
ID: 54252
SMILES:C(C(=CCC=C(C)CO)C)(Cc1c(O)c(C(O)=O)c(CCCCC)cc1O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -14.323
InChIKey:VKYLCANDXKLKDC-UHFFFAOYSA-N
ID: 54253
SMILES:C(CCCCc1c(OC(CC)=O)c2c3c(c1)OC1(C)C(C3)C(C)(C)CCC1(C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.962
InChIKey:PMICARVOYAQIHE-UHFFFAOYSA-N
ID: 54254
SMILES:c1(O)cc(CCCC)cc2c1-c1c(O)c(C)c(O)cc1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.497
InChIKey:ZVRNBHHYEFMXPM-UHFFFAOYSA-N
ID: 54255
SMILES:C1(O)CC2C(C=C1C)c1c(cc(CCCCC)c(C(O)=O)c1OC)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -13.908
InChIKey:DRGHNSYMEGZIKM-UHFFFAOYSA-N
ID: 54256
SMILES:C(CC=C(C)C=O)C1(C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.743
InChIKey:UUJQNJRUNZNNGA-UHFFFAOYSA-N
ID: 54257
SMILES:CC1=CC2=C(CCC1)C(C)(C)Oc1c2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -13.296
InChIKey:KTZJVRGZXSVQBE-UHFFFAOYSA-N
ID: 54258
SMILES:C(CCCC)c1cc(O)c2c(c1)C1C(C(C)(O)CO1)CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.6
InChIKey:NOHDYCHRQNKZGK-UHFFFAOYSA-N
ID: 54259
SMILES:C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 54260
SMILES:c1(C2(COC(=O)C)CO2)c(O)cc(Cl)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.879
CB1 binding score: -15.348
InChIKey:SIHKJYADTPEEGS-UHFFFAOYSA-N
ID: 54261
SMILES:[N+](c1ccc2c(c1)OC(C)(C)C1CCC(C)CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.493
CB1 binding score: -16.075
InChIKey:OECIPIXVXQGUPX-UHFFFAOYSA-N
ID: 54262
SMILES:CC1(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 54263
SMILES:C(Cc1cc(O)c(O)c(OC)c1)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -16.916
InChIKey:JXAPCRHDVQRAEX-UHFFFAOYSA-N
ID: 54264
SMILES:O(CC)C(=O)C(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.216
InChIKey:WCCQKKIPCZZSOK-UHFFFAOYSA-N