ID: 31123
SMILES:O=c1c(C)c2c(cc3c1C(=O)C=C(CC=C(C)C)C3=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.533
CB1 binding score: -15.395
InChIKey:GMWOZZOJSOONAL-UHFFFAOYSA-N
ID: 31124
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 31125
SMILES:c1(C2C(C(C)C)CCC(C)C2)c(O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -18.262
InChIKey:NMDGIFNTYYQNIA-UHFFFAOYSA-N
ID: 31126
SMILES:C1(=O)C2C3(C(C)(CCCC3(COC(C)=O)C)CC2)c2c(O)cc(CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.651
InChIKey:CDCCOZDMPKCRFQ-UHFFFAOYSA-N
ID: 31127
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 31128
SMILES:C(C=C(C)C)CC(C)=CCc1cc(OC)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -16.428
InChIKey:IXWNQCXKGMHDIW-UHFFFAOYSA-N
ID: 31129
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 31130
SMILES:OCC1(C)C2C(c3c(cc(CCC)cc3O)O1)CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -12.391
InChIKey:UTMNNVXFYLMWRM-UHFFFAOYSA-N
ID: 31131
SMILES:C1=Cc2c(O)cc(CCCCC)cc2C2C(C(C=C(C)C)C=C(C)C2)OC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -13.292
InChIKey:DUPOTJBOMGIALJ-UHFFFAOYSA-N
ID: 31132
SMILES:C1=C(C)CCC(C(C)(O)CCC(O)C(C)(O)C)C1c1cc(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.725
InChIKey:WCRHUSVYGLAAOY-UHFFFAOYSA-N
ID: 31133
SMILES:c1(OC)cc2c3c(c1OC(C)(C)C=C3)OC(C)(C)C1C2(C)C(C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.521
InChIKey:MLZWLIFZCUBOPP-UHFFFAOYSA-N
ID: 31134
SMILES:CC(C)=C1C(c2c(O)c(C(=O)O)c(C(CCC)O)cc2O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -17.241
InChIKey:LMPBJBZHVZMBQM-UHFFFAOYSA-N
ID: 31135
SMILES:C(CCC=C(C)C)(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -12.691
InChIKey:KAKATRLGWBFHOB-UHFFFAOYSA-N
ID: 31136
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.604
InChIKey:AUPXTHSHVYGTBU-UHFFFAOYSA-N
ID: 31137
SMILES:CCCCCc1c2c(c3c(c1)OC(C)(C)C1C3C=C(C)CC1)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.599
InChIKey:NXCCRBMYTDRONV-UHFFFAOYSA-N
ID: 31138
SMILES:CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -18.58
InChIKey:QSWUPWBGGAGFKI-UHFFFAOYSA-N
ID: 31139
SMILES:C12C(CC=C(C)C1=O)C(C)(C)Oc1c2c(O)cc(C(CCCCC)N=C(C(O)C(CO)O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.582
CB1 binding score: -15.467
InChIKey:FGVCYISADSYVES-UHFFFAOYSA-N
ID: 31140
SMILES:C1(C)C2=C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.296
InChIKey:XCLKDRPRUMQYJL-UHFFFAOYSA-N
ID: 31141
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.615
InChIKey:IQKGHLTXTPDDJD-UHFFFAOYSA-N
ID: 31142
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 31143
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c(cccc2)C2C(C(C)C)CCC(C)(O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.691
InChIKey:WAHVXMSGVRZJEK-UHFFFAOYSA-N