ID: 90112
SMILES:c12cc(CCCC)ccc1OC1(C2)C(C)(C)C(OC)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.123
InChIKey:OKXNNNUODHMNGN-UHFFFAOYSA-N
ID: 90113
SMILES:c1(C=CCO)c(C(O)=O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -13.685
InChIKey:UWKGFRYXXQFUGB-UHFFFAOYSA-N
ID: 90114
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C3OC3)CCC(C1(C)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.317
InChIKey:GQTFNXRMAPJWBF-UHFFFAOYSA-N
ID: 90115
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(O)C3)C(O)(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.421
InChIKey:RMPRTAMIHPEOIA-UHFFFAOYSA-N
ID: 90116
SMILES:c1c(CCCCCC)cc2c(c1O)C1C(CC2)C(O)(C)CCC(C(C)=C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.589
InChIKey:OGNMUZFKEYPDEQ-UHFFFAOYSA-N
ID: 90117
SMILES:CC1=C(C=C2C(C)(C)Oc3cc(CCCCC)cc(O)c32)C(O)(C)C(OC(C)=O)CC1CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.834
CB1 binding score: -14.531
InChIKey:VFRCREFQFGZXFR-UHFFFAOYSA-N
ID: 90118
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 90119
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.371
InChIKey:GSRXDBNJPHXNRM-UHFFFAOYSA-N
ID: 90120
SMILES:Oc1cc(CCC)cc2c1C1CC(C=O)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.399
InChIKey:DJVYNVITKRORPP-UHFFFAOYSA-N
ID: 90121
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.413
InChIKey:OOTHEWUJULEURJ-UHFFFAOYSA-N
ID: 90122
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.121
InChIKey:PJBASZVNRDGSFZ-UHFFFAOYSA-N
ID: 90123
SMILES:CC(C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 90124
SMILES:C1C(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.419
InChIKey:JEYQCAPEFPQXJU-UHFFFAOYSA-N
ID: 90125
SMILES:C(C1=CC2C3C(C(C)(C)OC(=O)C1)CCC3(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -13.301
InChIKey:XTGVATMHZPYLGO-UHFFFAOYSA-N
ID: 90126
SMILES:S(C)CC1=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C=O)c1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.464
CB1 binding score: -12.733
InChIKey:CCZWAKFTRVXLLJ-UHFFFAOYSA-N
ID: 90127
SMILES:C1C(C)=CCCC(CO)=CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.296
InChIKey:UIODUJLSAJOBJN-UHFFFAOYSA-N
ID: 90128
SMILES:C12C(C)(C)Oc3cc(O)cc(C)c3CC1C(CO)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.263
InChIKey:FCWHEKRCVUETJI-UHFFFAOYSA-N
ID: 90129
SMILES:C(C)(=CCc1c(O)cc(CCCCCO)cc1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.957
InChIKey:PLKLJUBYWVPPTA-UHFFFAOYSA-N
ID: 90130
SMILES:c1(C=O)c(CCCCC)cc(O)c2c1OC1(C(O)(C)C)CC(O)(CCC1C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -10.777
InChIKey:VJAANAOTFWEJOZ-UHFFFAOYSA-N
ID: 90131
SMILES:c1(O)c(C(C(CC)=O)C)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.089
InChIKey:UKECAWBXDZINPB-UHFFFAOYSA-N
ID: 90132
SMILES:C12C(CCC(C)=CCCC1=C)C(C)(C)Oc1cc(O)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.519
InChIKey:VUNPRPMLATVOJE-UHFFFAOYSA-N