ID: 98323
SMILES:C1C=CCC(C)=C1Oc1c(O)cc(CCCCC)c(C(=O)OC(C2CC=C(C)CC2)(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -13.009
InChIKey:VRUNYKSZRPWCCH-UHFFFAOYSA-N
ID: 98324
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C(CC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.715
InChIKey:NPZDSXFQMBVUTF-UHFFFAOYSA-N
ID: 98325
SMILES:C(C=C(C)C)c1c(C)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.913
InChIKey:SSXGVPSEIMSGLQ-UHFFFAOYSA-N
ID: 98326
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC(=O)C(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.153
InChIKey:IUPCBPUPSHLAFM-UHFFFAOYSA-N
ID: 98327
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=CC(OC(=O)C)C(C)=CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.803
InChIKey:PILPIZYLHBKBNV-UHFFFAOYSA-N
ID: 98328
SMILES:C1(C)=CCC(C(=C)C)C(c2c(O)c(-c3ccccc3)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.568
CB1 binding score: Not available
InChIKey:GZNOJONXMZWXIR-UHFFFAOYSA-N
ID: 98329
SMILES:C(C)Cc1cc(O)c(C2C=C(C)CC(c3cc(CCNC(=O)C(C=C)=CCO)cc(O)c3)c2)cc1OS(=O)(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 571.692
CB1 binding score: Not available
InChIKey:OBZIWYWORGPWGV-UHFFFAOYSA-N
ID: 98330
SMILES:Oc1c(C2C(C(CCC=C(C)C)C)CC(O)C(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.906
InChIKey:JJZLOEVMXZVSGV-UHFFFAOYSA-N
ID: 98331
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98332
SMILES:C(CC(C)C)Cc1cc2c(c(O)c1)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.916
InChIKey:WYMHNQJFXXXJDX-UHFFFAOYSA-N
ID: 98333
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C2=O)OCC(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.034
InChIKey:NDOYRULEZWUKNM-UHFFFAOYSA-N
ID: 98334
SMILES:c12cc(CCCCC)c(O)cc1C(=O)C(Cl)=C1C(C)(CCC(Br)C(C)(C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 471.819
CB1 binding score: -15.374
InChIKey:QICHBKXBQRWYFV-UHFFFAOYSA-N
ID: 98335
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C)c1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.605
InChIKey:LBSIWDUTPHYOKO-UHFFFAOYSA-N
ID: 98336
SMILES:Cc1cc2c(cc1)C(C)(C)Oc1c-2cc(O)c(C(C)(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -13.254
InChIKey:APMLKJTYMCJWBB-UHFFFAOYSA-N
ID: 98337
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 98338
SMILES:C1(C)=CCCC2(C)Oc3cc(-c4c(O)cc(CCCCC)cc4O)oc3CC2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -16.015
InChIKey:IIBMNXDPVFXBGW-UHFFFAOYSA-N
ID: 98339
SMILES:C12=CCCC3(C)C1C(c1c(cc(CCCCC)o1)O2)C=C(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.066
InChIKey:DWUBVZBRZUHTQL-UHFFFAOYSA-N
ID: 98340
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1-c1c2c(cc(O)c1)OC(C)(CCC=C(C)C)C=C2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -16.441
InChIKey:OUFVHUSJOLTOCU-UHFFFAOYSA-N
ID: 98341
SMILES:CCCCc1cc(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: 98342
SMILES:O=C(C)Oc1c(C#Cc2c(O)cc(CCCCCC)cc2O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.666
CB1 binding score: -14.574
InChIKey:JHFYJUHACHPRBF-UHFFFAOYSA-N
ID: 98343
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CC=C(C)C2)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N