ID: 87991
SMILES:c12c(cc(C(OC)=O)cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.147
InChIKey:NMPJNKRSBQFGBZ-UHFFFAOYSA-N
ID: 87992
SMILES:c1(C)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 87993
SMILES:C12C(C)(C3C(C=C(C)CC3)Oc3c1c(O)cc(CCCCC)c3)-c1oc(cc1CC=C(C)C)CC2C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.896
CB1 binding score: -13.504
InChIKey:WXSRCVBJKSUNDV-UHFFFAOYSA-N
ID: 87994
SMILES:CC1=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -18.142
InChIKey:SZPHYTJHUNYTBP-UHFFFAOYSA-N
ID: 87995
SMILES:C(=O)(C)OC1CC2C(C)(Oc3c(c(OC)cc(CCCCC)c3)C23OC3(C)CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -16.18
InChIKey:GTQYSZWNJWPWQC-UHFFFAOYSA-N
ID: 87996
SMILES:C(CCCC)c1ccc2c(c1O)C1C(CC=C(C)C2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.981
InChIKey:UQPBOIZMEQYBTK-UHFFFAOYSA-N
ID: 87997
SMILES:C1(C)(CCCC(C)=CCc2c(O)c(C)cc(O)c2)OC2(C)CCC1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.254
InChIKey:KKXLSQGUDXEIHN-UHFFFAOYSA-N
ID: 87998
SMILES:C12(C)CCCC(C)(C)C1=COc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.634
InChIKey:COVCOTKDDKCUFE-UHFFFAOYSA-N
ID: 87999
SMILES:O=C1C(C)c2c(C=O)c(CCCCC)cc(O)c2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -14.578
InChIKey:ICWKXTJEGSDTDA-UHFFFAOYSA-N
ID: 88000
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)c(O)c2O)C=C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.644
InChIKey:NVARJIFDRMPBCZ-UHFFFAOYSA-N
ID: 88001
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCCC)cc1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -17.668
InChIKey:MVIKSQFRYIEMMG-UHFFFAOYSA-N
ID: 88002
SMILES:O(C(=O)C)c1c(C)c(OC)c2c(c1C(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.034
InChIKey:GSNFMSMGBYTIJX-UHFFFAOYSA-N
ID: 88003
SMILES:CC(C=CC(C(O)(C)C)=O)=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -14.249
InChIKey:BAXOLVDKVDKOJI-UHFFFAOYSA-N
ID: 88004
SMILES:O(C)c1c(C2C=C(C)CCC2C(=C)C)c(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.189
InChIKey:XIKSPZHKWNEGGO-UHFFFAOYSA-N
ID: 88005
SMILES:CCC(C(=O)c1c(O)c(C=O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.408
InChIKey:OZKXESJGOAKWBV-UHFFFAOYSA-N
ID: 88006
SMILES:C1CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C2C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.791
InChIKey:VSQGBNUBIDZRPJ-UHFFFAOYSA-N
ID: 88007
SMILES:C(C)(CCC=C(C)C)(c1c2c(cc(O)c1)CCC(C(C)=C)C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.174
InChIKey:NVEYEKTXQYCNIF-UHFFFAOYSA-N
ID: 88008
SMILES:C(CC(C)=CCc1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.424
InChIKey:HKZQOPCVLGEFTE-UHFFFAOYSA-N
ID: 88009
SMILES:C(CCC)Cc1cc2c(c(OC)c1)C1C(CCC(=C)C(O)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.689
InChIKey:ILPUQYXOWVIKEU-UHFFFAOYSA-N
ID: 88010
SMILES:CC(=CCc1c(O)c(O)cc(CCCCC)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.682
InChIKey:LDSLGHZIOIUHGN-UHFFFAOYSA-N
ID: 88011
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N