ID: 60019
SMILES:c12c(OC)c(C)ccc1C(C)(C)Oc1c-2cc(OC)c(CCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.726
InChIKey:AQPCFBRGCNJTAQ-UHFFFAOYSA-N
ID: 60020
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC(O)C(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 60021
SMILES:O1C(C)(C)C2C3C(=C1c1c(c(C)c(OC)cc1)C=C3)OC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -16.724
InChIKey:XXVNZJZUDKZFBE-UHFFFAOYSA-N
ID: 60022
SMILES:C1C(CCC(=O)C)C(C)(C)Oc2c(c(O)cc(CCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.969
InChIKey:NSSBHZYACVMZEI-UHFFFAOYSA-N
ID: 60023
SMILES:N(CCOc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21)=CC=Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 471.685
CB1 binding score: -17.112
InChIKey:SCUGGDCPEZSSJL-UHFFFAOYSA-N
ID: 60024
SMILES:OC1CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.272
InChIKey:UPKHBJRNYNNTGP-UHFFFAOYSA-N
ID: 60025
SMILES:C1=Cc2c3c(oc2)C(=O)OC(C3(C)C)CC2C1c1c(O)cc(CCCCC)cc1OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.521
CB1 binding score: -16.502
InChIKey:CMDZUQKQPFSCGT-UHFFFAOYSA-N
ID: 60026
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 60027
SMILES:C1(=O)C(SC)(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.578
CB1 binding score: -16.727
InChIKey:CXVXGLPDRCDSRG-UHFFFAOYSA-N
ID: 60028
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -15.568
InChIKey:LJIMVQWJGWUTRA-UHFFFAOYSA-N
ID: 60029
SMILES:CC(CCC(C(C)C)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(O)(C)C(O)C12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -13.926
InChIKey:SXYGLGQNYJESSE-UHFFFAOYSA-N
ID: 60030
SMILES:c1(O)c(CC=C(CCC=C(C)C=CC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.427
InChIKey:OGICNLBIZSFWLP-UHFFFAOYSA-N
ID: 60031
SMILES:C(=O)(C(C(CO)O)O)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -14.605
InChIKey:WZXNQRCLZATVNS-UHFFFAOYSA-N
ID: 60032
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 450.619
CB1 binding score: -17.02
InChIKey:XIRMOWMAKISXDC-UHFFFAOYSA-N
ID: 60033
SMILES:C(C1=C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC2C(CC1)C2(C)C)N=C(Cl)Cl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.504
CB1 binding score: -16.042
InChIKey:SBPNEDDRGRTMJE-UHFFFAOYSA-N
ID: 60034
SMILES:O=C1C(C)C2CC=C(C)CC2c2c(O)cc(CCCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.015
InChIKey:ZMWWLPDMYAYUBU-UHFFFAOYSA-N
ID: 60035
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1(O)C(C(O)C(CCC=C(C)C)(C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.682
CB1 binding score: -15.22
InChIKey:QBJJDBNJBGDJNU-UHFFFAOYSA-N
ID: 60036
SMILES:c1c(C(CC=C(C)C)(CC)C)cc(O)c(CC=C(C)C)c1OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 610.741
CB1 binding score: -15.929
InChIKey:AUNFCBVKHWMYNI-UHFFFAOYSA-N
ID: 60037
SMILES:c1c(C2C=C(C)CCC2C(=C)C)c(O)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.03
InChIKey:FXCDESBUPRREJQ-UHFFFAOYSA-N
ID: 60038
SMILES:Cc1cc(O)c2c(c1C(C)C)OC(C)(C)C1C2CCC(C)(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.188
InChIKey:KWGKEMRZEYPWGM-UHFFFAOYSA-N
ID: 60039
SMILES:CC(C)=CCc1cc(OC)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.394
CB1 binding score: -17.03
InChIKey:ZORAFTSOZWSUPL-UHFFFAOYSA-N