ID: 23101
SMILES:C(C)C(C)=C(C)c1c(OC=O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.117
InChIKey:WSDUBUGWHQWTHC-UHFFFAOYSA-N
ID: 23102
SMILES:Oc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 23103
SMILES:C1C(C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.596
InChIKey:PIMUSOMCFRRVJI-UHFFFAOYSA-N
ID: 23104
SMILES:Oc1cc(CO)c(C2C(C(C)=C)CC(c3c(O)cc(CCCCC)cc3O)C=C2C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -14.08
InChIKey:OMMDRKCHGTXOSV-UHFFFAOYSA-N
ID: 23105
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.122
InChIKey:GHQWHEOOZNZPEX-UHFFFAOYSA-N
ID: 23106
SMILES:C(CC(C)C)Cc1c2c(c(C(=O)C)c(OC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.289
InChIKey:GADZCNRBVLLBMW-UHFFFAOYSA-N
ID: 23107
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.502
InChIKey:HDNJNVPZXVJOMB-UHFFFAOYSA-N
ID: 23108
SMILES:C(C)(=CCC(C(=C)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.001
InChIKey:RKUWYTJVXYVLJY-UHFFFAOYSA-N
ID: 23109
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 23110
SMILES:C1(O)C(CO)OC(OC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC(C)=CCCC(C)=C)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.744
CB1 binding score: -13.913
InChIKey:CYUNHSFSBFSAAJ-UHFFFAOYSA-N
ID: 23111
SMILES:COc1c(=O)ccc2c(c1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.545
InChIKey:ZUVRZUOQQJMKCE-UHFFFAOYSA-N
ID: 23112
SMILES:C1(=C(C)C)C(c2c(O)cc(CCCCC)c(O)c2)CC2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.053
InChIKey:YMEUTAYLWJFZQF-UHFFFAOYSA-N
ID: 23113
SMILES:CC(C1(O)C2(C)C3(O)CC4(C)C(c5c(cc(CCCCC)cc5O)O3)C(O2)C4)(O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.513
CB1 binding score: -15.873
InChIKey:SCPCBOHNGKCLQB-UHFFFAOYSA-N
ID: 23114
SMILES:C(CC)CCc1cc(O)c2c(c1)C1c3ccc(C)c(C)c3CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.969
InChIKey:ALVMIHQBDNFCAC-UHFFFAOYSA-N
ID: 23115
SMILES:c1c(CCCCC)c(O)cc2c1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.869
InChIKey:GIJHEBBJNYJRQK-UHFFFAOYSA-N
ID: 23116
SMILES:CC(=CCCC(=CCCC(C)=CCOc1cc(CCCCC)cc(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.832
InChIKey:BNWJZHOKQJYRLP-UHFFFAOYSA-N
ID: 23117
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(C#CCC(C)=CC1)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.512
InChIKey:RNLKVXDGCTVNJF-UHFFFAOYSA-N
ID: 23118
SMILES:O1C2(C)CC3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)CC(=O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.58
InChIKey:HRINHBNXJKKKLA-UHFFFAOYSA-N
ID: 23119
SMILES:C1CCC(C(=C)C)Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -15.256
InChIKey:PVQCANSBEUIYRB-UHFFFAOYSA-N
ID: 23120
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 23121
SMILES:Oc1cc(CCC)cc2c1-c1c(O)cc(CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.568
InChIKey:VMNQTHXGSGYAEK-UHFFFAOYSA-N