ID: 114094
SMILES:C(C1C(C)(C)O1)CC(C(=O)C)(C(C)C)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(OC)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -16.851
InChIKey:XBUVIHROLJMGEH-UHFFFAOYSA-N
ID: 114095
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 114096
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 114097
SMILES:C(#CC(C)c1c(O)cc(CCCCC)cc1OC)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.504
InChIKey:IGMARXCIZIHKHV-UHFFFAOYSA-N
ID: 114098
SMILES:CC(C)=CC1Oc2c(cc(CCCCC)cc2O)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -14.211
InChIKey:SWCZXHBBSFILEL-UHFFFAOYSA-N
ID: 114099
SMILES:C(=C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 114100
SMILES:C(O)(C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 114101
SMILES:C1(O)CC=C(C)C2CC(C(C)=C)C3(O)C2C1(C)CC3C(=O)c1c(O)cc(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -17.107
InChIKey:KFRCKAFZSQHVFW-UHFFFAOYSA-N
ID: 114102
SMILES:CC12CCC(C(C)=C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N
ID: 114103
SMILES:C(C1c2ccc(C)cc2OC1(C)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.367
CB1 binding score: -15.732
InChIKey:AJUUKTQCAQYJFG-UHFFFAOYSA-N
ID: 114104
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 114105
SMILES:CC1CCCC2(C)Oc3c(c(O)cc(C(C(C)C(C)CC)C)c3O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.382
InChIKey:CXCNSMGZKHTIKL-UHFFFAOYSA-N
ID: 114106
SMILES:CC(C)=C1CCC(C)=CCCC(C)=CCC(c2c(O)cc(CCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.334
InChIKey:WTRKPORSPNJLCX-UHFFFAOYSA-N
ID: 114107
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(COC(=O)C(C)=CC)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.542
InChIKey:WTJDSDIYYUURII-UHFFFAOYSA-N
ID: 114108
SMILES:Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 114109
SMILES:C1C=C(C)C(O)C2C1C(C)(C)Oc1cc(Cc3c(O)cc(CCCCC)cc3OC)cc(C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.116
InChIKey:GTGUOKHQDQPYNQ-UHFFFAOYSA-N
ID: 114110
SMILES:CC(C)(C=Cc1c(OC)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.217
InChIKey:DYWSHEAPBBPTOO-UHFFFAOYSA-N
ID: 114111
SMILES:C(=CCC1CC=C(C)C(CC(C(O)(C)C)O)OC(c2c(C)cc(O)cc2O)(O)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -14.806
InChIKey:YWDOHMNYPUPJCT-UHFFFAOYSA-N
ID: 114112
SMILES:c1c(OC(=O)C)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.127
InChIKey:JZZHXSIRDHGYSQ-UHFFFAOYSA-N
ID: 114113
SMILES:c12c(c(C(C(C)C)O)cc(O)c1C=O)CC1C3(Oc4c(C)c(C)c(OC)cc4CC3=CCC1C)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.666
CB1 binding score: -12.246
InChIKey:SOZWUAXHPVXSFT-UHFFFAOYSA-N
ID: 114114
SMILES:C1C(C(C)(OC)C)C(c2c(O)cc(CCC)cc2O)C(C(=O)C)C(C=C(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.311
InChIKey:FAOCQRDVGNSPIX-UHFFFAOYSA-N