ID: 23080
SMILES:OC(CCC(c1cc(O)cc(C)c1O)(C)CCC(=C(C)C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -13.315
InChIKey:YIQFMECRCPABNZ-UHFFFAOYSA-N
ID: 23081
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 23082
SMILES:C(CCCC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1O)OC(C)(C)C1C2(C)CCC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.502
InChIKey:KBVLADXIHCPVLV-UHFFFAOYSA-N
ID: 23083
SMILES:C(C1C(C)(C)C(C=CCC(O)=O)C1c1cc(CCCCC)cc(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.087
InChIKey:ZYFHFJHOXLDGMO-UHFFFAOYSA-N
ID: 23084
SMILES:C1=C(C)CCC(C(C)(O)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 23085
SMILES:C1(C)(C)C2C=Cc3c(cc(CCCCC)cc3O)OC2(C)CCC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.519
InChIKey:OCMKPNPEWWJMPG-UHFFFAOYSA-N
ID: 23086
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C3C=C(C(O)=O)C(O)CC31C(C)CCC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: Not available
InChIKey:JFFDDEIORYNOGX-UHFFFAOYSA-N
ID: 23087
SMILES:C(=Cc1c(CCCC)cc2c(c1COC(=O)C)OC(C)(C)C1CC(=O)C(C)=CC21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.412
InChIKey:YWXWCOBLKQTDNM-UHFFFAOYSA-N
ID: 23088
SMILES:C(=C)(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 23089
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 23090
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.991
InChIKey:XRZSNPHPXMCBOS-UHFFFAOYSA-N
ID: 23091
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.041
InChIKey:FUSPLVVRJKZJDT-UHFFFAOYSA-N
ID: 23092
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(CN=C=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 373.493
CB1 binding score: -14.214
InChIKey:XYXOSHVRJFEIDX-UHFFFAOYSA-N
ID: 23093
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC3C(C)(C4=CCC5CC(OC)OC5C(O)C(C)=C4C3O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.617
CB1 binding score: -15.418
InChIKey:AZHSXOHBINPWGK-UHFFFAOYSA-N
ID: 23094
SMILES:C(CCc1ccc(C2C=C(C)CCC2C(C)=C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 23095
SMILES:C(c1c(O)c(=O)c2c(cc1OC)OC(C)(C)C1C2C=C(C)CC1)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -15.509
InChIKey:SBZAFRWZBZDOHA-UHFFFAOYSA-N
ID: 23096
SMILES:C(=O)(OC)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 23097
SMILES:O=C1c2c(c(O)cc(CCCCC)c2)C2C(C(C)=C)CCC2(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.69
InChIKey:MILRDULZXQASKA-UHFFFAOYSA-N
ID: 23098
SMILES:C12C(C)(C)Oc3c(c(O)cc(C)c3)C1C=C(CCC=C(C)C)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.559
InChIKey:JGNSHWZCUDSUOD-UHFFFAOYSA-N
ID: 23099
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CCC(C)=CCCC(C)=C)C(C)(C=C1C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -12.714
InChIKey:DKJWCBRMIKDNHQ-UHFFFAOYSA-N
ID: 23100
SMILES:CC(C)C1CC=C2C(C)(C1)Oc1c(c(O)cc(CCC)c1)C2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.887
InChIKey:IJCAMGSHXOZKFG-UHFFFAOYSA-N