ID: 79171
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 79172
SMILES:CCCCCc1cc2c(c(OC)c1)C1C(C)(C)CCCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.912
InChIKey:CHZJQQKNRIIFFW-UHFFFAOYSA-N
ID: 79173
SMILES:CC(C(OCC12C3C(C(=C)C)CCC3(C)CC1c1c(O)cc(CCCCC)cc1O2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -10.147
InChIKey:WIIYDXGDDYTAAG-UHFFFAOYSA-N
ID: 79174
SMILES:C1C(C)=CCC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.463
InChIKey:VMTHYAKZVQXYPS-UHFFFAOYSA-N
ID: 79175
SMILES:Oc1c2cc(CCCCCC)cc1-c1c(O)c(C)c(O)cc1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -11.745
InChIKey:JADZQHQFSAFFKY-UHFFFAOYSA-N
ID: 79176
SMILES:C12CC(OC(C)=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 79177
SMILES:c1(CC(OC)(C)C)cc(OC)c2c(c1)OC(C)(C)C1=C(C(CCC(OC(C)=O)C)C(=O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -14.889
InChIKey:HVWYWRTUCPMNJY-UHFFFAOYSA-N
ID: 79178
SMILES:C12C(C(C)(O)C)C(=O)CC(C)(C1)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.544
InChIKey:SHBDUVSRTPPKJR-UHFFFAOYSA-N
ID: 79179
SMILES:O1C(=O)C(C)C2(O)C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.631
InChIKey:CWMZUSJACYZNTD-UHFFFAOYSA-N
ID: 79180
SMILES:CC(C)C1C2(CO)C(C3C(c4c(cc(CCCCC)cc4OC)O3)C(O)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.459
InChIKey:XFIIVBVQUYCFGV-UHFFFAOYSA-N
ID: 79181
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 79182
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C(O)(C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.428
InChIKey:RMGLMIJXAXQQNY-UHFFFAOYSA-N
ID: 79183
SMILES:C1CC(=O)C(C)(C)C2C1(C)C1C(C)(Oc3cc(CCCCC)c(C(=O)O)c(O)c31)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.943
InChIKey:SMPHXNOZSDDLFK-UHFFFAOYSA-N
ID: 79184
SMILES:c1(C#CC(=O)C)c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)(OC)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -16.941
InChIKey:KGKIKWMLOXHKBG-UHFFFAOYSA-N
ID: 79185
SMILES:C(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C=C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.334
InChIKey:PFVJCKNEMQADGE-UHFFFAOYSA-N
ID: 79186
SMILES:O1C2(OC)C3(C)CC1c1c(cc(CCCCC)cc1O)OC31CCC(C(=O)OC)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -13.875
InChIKey:UXPSEKQWHMAZLZ-UHFFFAOYSA-N
ID: 79187
SMILES:C(C)CCc1cc(O)cc2c1OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.609
InChIKey:KQJWVVMLQLGNLO-UHFFFAOYSA-N
ID: 79188
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 79189
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C1C(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.462
InChIKey:HXUMLUBKKQCAGB-UHFFFAOYSA-N
ID: 79190
SMILES:C1(O)(C)C2(C)Oc3c(c(O)cc(CCCCC)c3)C3(C2C2C(C)(C)C1CC2)C(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.239
InChIKey:LZLKLEQKTCJBOG-UHFFFAOYSA-N
ID: 79191
SMILES:CC1(C)C2C3(c4cc(cc(O)c4)-c4c(O)cc(CCCC)cc4O1)OC(C)(C)C2C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -14.435
InChIKey:XQVTVVNBUMHDLI-UHFFFAOYSA-N