ID: 116656
SMILES:c1(CCCCC)c2c(ccc3c2C(C(C)(O)C)CCC(C)O3)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.502
InChIKey:QDPBPVAFHNELMG-UHFFFAOYSA-N
ID: 116657
SMILES:O1C(C)(C)CC12Oc1cccc(C)c1C1C=C(C)CCC1C(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.064
InChIKey:WVHOELFVYLYSHK-UHFFFAOYSA-N
ID: 116658
SMILES:C1CC(OS(C)(=O)=O)C2(C)CC(=O)CC2C12C(c1c(O)cc(C(=O)O)c(CCCCC)c1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.66
CB1 binding score: -12.75
InChIKey:HPWDVKRSHUSKNI-UHFFFAOYSA-N
ID: 116659
SMILES:C1(C)C(OC(=O)C)C=CC(C)C(C(c2c(O)c(C=O)c(O)c(C3C(C(C)=CCC=C(C)C)CCC(C)=C3)c2O)=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 566.691
CB1 binding score: -13.272
InChIKey:AORSWJBVEKOUNV-UHFFFAOYSA-N
ID: 116660
SMILES:C1CCC(C)(C)C(CCC(C)=CCc2c(O)cc(CCCCC)cc2O)C1(O)C(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -12.856
InChIKey:NMOMXZWWHLYSID-UHFFFAOYSA-N
ID: 116661
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 116662
SMILES:C1(C)=CCC2C(C)(C)Oc3c(cc(O)c(C)c3C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.502
InChIKey:ZJUFOHUMYCMAFL-UHFFFAOYSA-N
ID: 116663
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.644
InChIKey:IEERHDNDIMSELQ-UHFFFAOYSA-N
ID: 116664
SMILES:c1c(O)c2c(c(O)c1Cl)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.778
CB1 binding score: -14.675
InChIKey:PLGOVHCCFFEHAZ-UHFFFAOYSA-N
ID: 116665
SMILES:O1C(C)(CCC=C(C)CCC=C(C)C)C=Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 116666
SMILES:C1(C)=CCC(C(C)=C)C(c2c(OC)cc(CCCCC)cc2OC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.751
InChIKey:OKEADXNYZUFHJQ-UHFFFAOYSA-N
ID: 116667
SMILES:C(C)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.118
InChIKey:NEUABICYMUWBFX-UHFFFAOYSA-N
ID: 116668
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C2C(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.397
InChIKey:ZNMAVDDTVQRISH-UHFFFAOYSA-N
ID: 116669
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 116670
SMILES:C1CC2(C)Oc3cc(C)cc(O)c3C2C(O)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.1
InChIKey:JBQSMNWCCOQLFK-UHFFFAOYSA-N
ID: 116671
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C1OC(CO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -15.178
InChIKey:IXNABQTVTQEYDM-UHFFFAOYSA-N
ID: 116672
SMILES:C1C(C)=CC2C(C(C)(C)Oc3cc(CCC=C(C)C)ccc32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -16.44
InChIKey:LTXGZODPWAHRRL-UHFFFAOYSA-N
ID: 116673
SMILES:CC(Cc1c(C(O)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC=CCCc1occ(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -12.594
InChIKey:IODDHGHOWIWKRK-UHFFFAOYSA-N
ID: 116674
SMILES:C1(C)=CCC(C)=CC1c1c(OC)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.685
InChIKey:MHZZNCUPIWXPRP-UHFFFAOYSA-N
ID: 116675
SMILES:c1c(CCC(C)(O)C=CCC2(C)C=Cc3c(O)cc(C)cc3O2)OC(=O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.605
InChIKey:FKCSSAXPPNLSLG-UHFFFAOYSA-N
ID: 116676
SMILES:C12CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N