ID: 5398
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)c(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 5399
SMILES:C(C(COc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1)O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.833
InChIKey:DHXQIPGZPKELNF-UHFFFAOYSA-N
ID: 5400
SMILES:C1CC(=C)C(CCc2c(-c3c(O)cc(CCCCC)cc3O)cc(O)cc2)C(C)(C(OC)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -13.657
InChIKey:CFORSRVBVUVZJJ-UHFFFAOYSA-N
ID: 5401
SMILES:C(CCc1cc2c(c3c1CC(C)(C)O3)C(O)CC=C2CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.806
InChIKey:MMIKSPIYSOSPLL-UHFFFAOYSA-N
ID: 5402
SMILES:C1(C)(CC)Oc2cc(CCCCC)cc(O)c2C2CC(C)CCC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.866
InChIKey:MIINKZTWVOWOBA-UHFFFAOYSA-N
ID: 5403
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.028
InChIKey:BNDLCGBREIIGHD-UHFFFAOYSA-N
ID: 5404
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 5405
SMILES:C1C2(CO2)C2CC(c3c(O)cc(CCCCCO)cc3O)C(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.229
InChIKey:KKPBWUQRQOZVIK-UHFFFAOYSA-N
ID: 5406
SMILES:C(CCCCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -14.847
InChIKey:HXPAXZLPYVQKEC-UHFFFAOYSA-N
ID: 5407
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1C(C3CC4C(C)(CCCC4(C)C)O1)C(=O)C(Oc1cc(CCCCC)cc(O)c1)C3(O)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 650.853
CB1 binding score: -14.513
InChIKey:PPWDZCBTZMXHHM-UHFFFAOYSA-N
ID: 5408
SMILES:C(CC=C(C#CC=C(C)C)C)C(=CCc1c(O)c(C)cc(OC)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -17.639
InChIKey:NFVPJEXAKNHWTP-UHFFFAOYSA-N
ID: 5409
SMILES:O=C1C(CCC=C(C)C)(C)C2CCC(C)=CC2c2c(O)cc(CCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -13.548
InChIKey:YDSHUZQXEHMNGV-UHFFFAOYSA-N
ID: 5410
SMILES:c1(-c2c(O)c3c(cc2)OC(C(C)(O)C)O3)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: -14.435
InChIKey:CDDZQRVPHSDYFY-UHFFFAOYSA-N
ID: 5411
SMILES:C(c1cc(OS(O)(=O)=O)oc1-c1c(CCCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.699
CB1 binding score: -17.94
InChIKey:FAXLBUZESBWGAI-UHFFFAOYSA-N
ID: 5412
SMILES:C12C(C(=O)C)Oc3c(c(O)cc(CCCCC)c3)C1CC(C)(O)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.719
InChIKey:VZAMOZVDDIEOSG-UHFFFAOYSA-N
ID: 5413
SMILES:C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 5414
SMILES:Oc1c2cc(cc1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -16.217
InChIKey:BOLLQDKPDXPEKL-UHFFFAOYSA-N
ID: 5415
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.691
InChIKey:JUCOHRGEXRGBDB-UHFFFAOYSA-N
ID: 5416
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C=O)C(C)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.471
InChIKey:SYJTUAFPEUPSOD-UHFFFAOYSA-N
ID: 5417
SMILES:C1=COC2C3C1c1c(cc(CCCCC)cc1O)OC(C)(C)C3O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.403
InChIKey:SWMYUNVJHHPUOC-UHFFFAOYSA-N
ID: 5418
SMILES:CCCCCc1cc(O)c2c3c1OC(C)(C)C(O)C3O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -13.372
InChIKey:MMYYKKSAKOLMOV-UHFFFAOYSA-N