ID: 122872
SMILES:C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(CC2C)C1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -13.995
InChIKey:TWWXFTZZBKNMLL-UHFFFAOYSA-N
ID: 122873
SMILES:C1(OC(c2c(O)cc(CCCCC)cc2O)=O)CC(=C)C2C(C1O)C(C)CC2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -16.869
InChIKey:OMZKRUDLHYFRDF-UHFFFAOYSA-N
ID: 122874
SMILES:C1C=C(C)CC(C(C)=C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.636
InChIKey:PLRPAXLAYIYIOL-UHFFFAOYSA-N
ID: 122875
SMILES:C(CCc1cc2c(c(O)c1)C1C=CC(C)C1(C)C2)c1c2c(oc1C=C(C)C)ccc1c2C=CC(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.675
CB1 binding score: -14.373
InChIKey:CBKOWQXMMRIGBL-UHFFFAOYSA-N
ID: 122876
SMILES:C(=CCCC(=CCc1c(Br)cc(CCCc2cc(OC)c(O)c(OC)c2)cc1O)C)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 503.477
CB1 binding score: -15.616
InChIKey:JFWYVEIIMRIJNR-UHFFFAOYSA-N
ID: 122877
SMILES:c1c(CCCCC)c(C2C=C(C)CCC2C(C)=C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.412
InChIKey:PULIBMZHQZCUMF-UHFFFAOYSA-N
ID: 122878
SMILES:CC(=CCc1c(O)cc(CCC)cc1OC)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.187
InChIKey:ZKXZJUZIDUHJLH-UHFFFAOYSA-N
ID: 122879
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.52
InChIKey:VSPMMLWNVIQBOR-UHFFFAOYSA-N
ID: 122880
SMILES:C(CCC(=CCc1c(O)cc(CCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 122881
SMILES:CC(=CC1C(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -17.206
InChIKey:BFEFIDRXSYPMQQ-UHFFFAOYSA-N
ID: 122882
SMILES:CC(CC=CC(C)=C)=CCc1c(O)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.938
InChIKey:YITDRXZNBUROCU-UHFFFAOYSA-N
ID: 122883
SMILES:C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 122884
SMILES:CCCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 122885
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 122886
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(C)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 122887
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 122888
SMILES:Oc1cc(CCCCC)cc(OC)c1CC=C(C)C(CC=C(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.354
InChIKey:GHPUEANTUQMVAN-UHFFFAOYSA-N
ID: 122889
SMILES:c1(CC=C(C)C)c(OC)cc(CCCCC)c(C(=O)O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.08
InChIKey:XXKMRMSYTPTPQD-UHFFFAOYSA-N
ID: 122890
SMILES:N#CC1CC2Cc3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.387
CB1 binding score: -16.783
InChIKey:OYICZOQULXDTNZ-UHFFFAOYSA-N
ID: 122891
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 122892
SMILES:C1(C)(C)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.69
InChIKey:ZRWRCOMYRUKRRN-UHFFFAOYSA-N