ID: 40069
SMILES:C(=O)C1=CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -13.355
InChIKey:LJALDRIQAWHNPG-UHFFFAOYSA-N
ID: 40070
SMILES:CCCc1cc2c(c(OC)c1)C(c1ccccc1)C1CCC(COCCCCCC)=CC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.729
CB1 binding score: -16.094
InChIKey:LHRFNKBSWTZUFE-UHFFFAOYSA-N
ID: 40071
SMILES:C1(c2c(O)cc(CCCCCO)cc2O)C(O)C2C3(C)C(CCC2(C)C)C(C)=CCC3O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.438
InChIKey:ZOODVGSWQBIKGC-UHFFFAOYSA-N
ID: 40072
SMILES:C(C)CCCc1cc(O)c2c(c1)C1C(CCC(CO)=C1)C(C)(c1c(C)c(=O)c(C)c(OC)o1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -18.169
InChIKey:UOQIAHYMNBYMQS-UHFFFAOYSA-N
ID: 40073
SMILES:C(CC)(C(O)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.657
InChIKey:NEKSUQHFGGDAAF-UHFFFAOYSA-N
ID: 40074
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.958
InChIKey:WPDFKBOKUXLBOV-UHFFFAOYSA-N
ID: 40075
SMILES:c1c2c(cc3c1OC1(C)OC(C)(C)C4CC4C(CO)=CC1C2)-c1c(O)cc(CCCCC)cc1OC3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.623
CB1 binding score: -14.891
InChIKey:AKDQYZWBFOZZMB-UHFFFAOYSA-N
ID: 40076
SMILES:c1(CC)cc(O)c(CC=C(CCC=C(C)C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.652
InChIKey:GFZBDSMMEKEACG-UHFFFAOYSA-N
ID: 40077
SMILES:C(Cc1c2c3c(cc1)C(C)(C)COc1c(c(O)cc(CCCCC)c1)C3(C(=O)O)CC2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -14.245
InChIKey:CNFQXFNHLBMKHD-UHFFFAOYSA-N
ID: 40078
SMILES:c1c(O)c2c(c(OC)c1)C1C=C(C)C(OC(=O)CCCCCCCC=CC(CCCCC)O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.757
CB1 binding score: -14.58
InChIKey:HIKHEFZRMSFCIW-UHFFFAOYSA-N
ID: 40079
SMILES:CC1C(C(CC(C)C)c2cc(O)ccc2)=C(O)C(=O)C2=C1OC1(C)C3C(CC1)C(C)(C)OC32
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -17.516
InChIKey:SWQGRMOATYKALK-UHFFFAOYSA-N
ID: 40080
SMILES:CC(c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)cc2CCCCC)c1O)(O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 646.909
CB1 binding score: -14.145
InChIKey:BAHZZVNEDJNXNJ-UHFFFAOYSA-N
ID: 40081
SMILES:CC(C)CCCc1cc2c(c(O)c1)C1CC(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.353
InChIKey:GSSRUQKPKNZQHS-UHFFFAOYSA-N
ID: 40082
SMILES:CC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 40083
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CCC(O)(C)C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.076
InChIKey:HOVJGWOQKYUAJY-UHFFFAOYSA-N
ID: 40084
SMILES:c1c(Cl)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.855
CB1 binding score: -16.882
InChIKey:ISGNEBVEEKUVEE-UHFFFAOYSA-N
ID: 40085
SMILES:C1(C)=CC2C(C(O)(C)C)CC1c1c(O)cc(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -0.527
InChIKey:NLDIYFZZZFMMDZ-UHFFFAOYSA-N
ID: 40086
SMILES:C1Oc2cc(CCCCC)cc(O)c2C1=C(CO)CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -3.248
InChIKey:VKLFCNSOLCGCHG-UHFFFAOYSA-N
ID: 40087
SMILES:C(O)C=Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.264
InChIKey:LTOTURCVANTSBG-UHFFFAOYSA-N
ID: 40088
SMILES:CC(C(OCC1=CC2C(C(C(C)=CCC3C(C)(C)OC(=O)CC31)C(C)=CC2=O)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.328
InChIKey:PLOSCWCBSLZAQU-UHFFFAOYSA-N
ID: 40089
SMILES:Oc1cc(CCC)cc(OC(=O)C)c1C=CC(CCC=C(C)C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.203
InChIKey:AMPNAPWULYLKEB-UHFFFAOYSA-N