ID: 64639
SMILES:C(CCC=C)c1cc2c(c(OC)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.786
InChIKey:YTJBHNSLXHWCQQ-UHFFFAOYSA-N
ID: 64640
SMILES:OCC1=CC2c3c(c(O)c(O)c(CC(Cl)C(=C)C)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.895
CB1 binding score: -15.519
InChIKey:LCGXFELSYGPXGO-UHFFFAOYSA-N
ID: 64641
SMILES:c1(CC2OC2(C)C)c(C(=O)O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -12.22
InChIKey:BUSBGQKFHMMXKW-UHFFFAOYSA-N
ID: 64642
SMILES:O1CC12C1(C)C(CCC(C)(C)CC1OC(=O)CCC)c1c2cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.381
InChIKey:XOOVBWYHZXRJDF-UHFFFAOYSA-N
ID: 64643
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CC(C)(CCC(C(C)C)=O)OC2=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.293
InChIKey:SLUFCXKRKNHPOP-UHFFFAOYSA-N
ID: 64644
SMILES:O1C2(C)COC1(C)C1C(C)(CC2)Oc2c(c(O)cc(CCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -13.822
InChIKey:RYHPHKAEBOZFLR-UHFFFAOYSA-N
ID: 64645
SMILES:C12C(C)CCC1C(C)(C)Oc1cc(CCc3ccc(O)cc3)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -19.27
InChIKey:PTBAXEGTSYPMGP-UHFFFAOYSA-N
ID: 64646
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)c(O)c2)C=C(C(O)=O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.734
InChIKey:HOOIZLLKJBYCMF-UHFFFAOYSA-N
ID: 64647
SMILES:C(CC)CCc1cccc(C2C(C(C)C)CCC(C)C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.503
CB1 binding score: -18.434
InChIKey:FHTXWJYHYWKJKG-UHFFFAOYSA-N
ID: 64648
SMILES:c1(O)c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.748
InChIKey:UESOFUAUNDLWRH-UHFFFAOYSA-N
ID: 64649
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 64650
SMILES:c12c(C(C=C)(C)C)c(O)c(C(CC(C)C)=O)c(O)c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.602
InChIKey:IWYOARXLXMUQIJ-UHFFFAOYSA-N
ID: 64651
SMILES:c1(CC(C)C)ccc(CC(C)CCCc2cc(OC(=O)C)c(C(OC)=O)c(OC)c2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.253
InChIKey:NKUURQIMTHBMIZ-UHFFFAOYSA-N
ID: 64652
SMILES:c1(O)c2c(cc(CCCCC)c1O)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.71
InChIKey:QQTIDTRRWYIZRE-UHFFFAOYSA-N
ID: 64653
SMILES:C(CCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 64654
SMILES:CC1(C)C=Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 64655
SMILES:c1(O)c2c(cc(CCCCC)c1)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: 64656
SMILES:C1(c2c(O)cc(CCCCC)cc2)C2C(CCC1C)C(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -12.936
InChIKey:KJLATKLOSRMJBT-UHFFFAOYSA-N
ID: 64657
SMILES:CC1(C)C(CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3(C)OC3C2O)C(O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -16.768
InChIKey:GMCUIQVPZWSVTB-UHFFFAOYSA-N
ID: 64658
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 64659
SMILES:c1(COCc2cc3c(cc(OC)c(O)c3)o2)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.531
CB1 binding score: -12.623
InChIKey:UUQOJRDYLYIHQU-UHFFFAOYSA-N