ID: 75937
SMILES:c12c(cc(O)c3c1C(C)C(C)OC3=O)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Isocoumarins
MW: 410.51
CB1 binding score: -14.361
InChIKey:MKWMIQOZNJJFDZ-UHFFFAOYSA-N
ID: 75938
SMILES:c1(CCCCC)c(C(O)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 75939
SMILES:Oc1cc(CCCCC)cc2c1C1C(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: 75940
SMILES:c1(CCCC)cc(OC2(C(C)C)CCC(C)=CC2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.184
InChIKey:PBSNMYSREPNSSQ-UHFFFAOYSA-N
ID: 75941
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C=CC(C)(O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.412
InChIKey:ZEBRGKISXPXLDO-UHFFFAOYSA-N
ID: 75942
SMILES:C1=C(C(OC)=O)CC2c3c(O)cc(CCCCC)cc3OC1(C)C=C2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.914
InChIKey:CMQDPNLQXIFENF-UHFFFAOYSA-N
ID: 75943
SMILES:C1=C(C)CCC2C1C(C)(C)Oc1c2c(O)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.723
InChIKey:QAEFBHVHVAURQU-UHFFFAOYSA-N
ID: 75944
SMILES:CC1(CCCC(CCC=C(C)C)C)CC(c2c(O)cc(C)cc2O)C(=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.679
InChIKey:OFBHUEHQFGWRDV-UHFFFAOYSA-N
ID: 75945
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2=C1C(=O)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.862
InChIKey:XBEXLOJWPRVOCG-UHFFFAOYSA-N
ID: 75946
SMILES:c1(CC(O)CCC)cc(O)c2c(c1O)OC(C)(C)C1=CCC(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.156
InChIKey:IGYKRXXRJAGUED-UHFFFAOYSA-N
ID: 75947
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:OUNVQELVMFLOGJ-UHFFFAOYSA-N
ID: 75948
SMILES:C1CCCC12c1c(O)cc(CCCC)cc1OC(C)(CC1C=C(C)CCC1C(C)=C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -14.605
InChIKey:ZFJLRMYOZIRYJC-UHFFFAOYSA-N
ID: 75949
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CC)cc2O)C(C(O)(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.608
InChIKey:GPNGYDNJJARKCL-UHFFFAOYSA-N
ID: 75950
SMILES:C(CCCCC)c1cc2c(c(O)c1)C=CC(CCC=C(CCC=C(C)C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.334
InChIKey:NADWYTHYDAXNAO-UHFFFAOYSA-N
ID: 75951
SMILES:C(C1(O)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1)#CC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.645
InChIKey:CUKOAHFOVKYBDP-UHFFFAOYSA-N
ID: 75952
SMILES:c1c(OC)c(C2C(C(=C)C)CCC(C)=C2)cc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.814
InChIKey:OFJSDHLGLZNWGY-UHFFFAOYSA-N
ID: 75953
SMILES:c1c(O)c2c(cc1CCCCC)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: 75954
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(CO)O2)CCC(C)=C1)CCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.355
InChIKey:SRSXHROHYFQAJM-UHFFFAOYSA-N
ID: 75955
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12)(CCOC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -17.504
InChIKey:SCCAGZGVXXDIHB-UHFFFAOYSA-N
ID: 75956
SMILES:CC(=CCc1c(OC)c(CCCCC)cc(O)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.939
InChIKey:LOXIJZODUCQESR-UHFFFAOYSA-N
ID: 75957
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.152
InChIKey:AQRXPQHIOXJISX-UHFFFAOYSA-N