ID: 72871
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 72872
SMILES:O1C23C4C(C)(O4)CCC2C(C)(C)OC3=C1C(CCC)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -15.202
InChIKey:WJPNYBAXRZOADY-UHFFFAOYSA-N
ID: 72873
SMILES:C(C(=CCCC(=CCc1cc(O)cc2c1OC1(C3=CCC=C(C)C3CC21)C)C)C)CCC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.702
CB1 binding score: -15.384
InChIKey:YFYSCVOLDBWHCK-UHFFFAOYSA-N
ID: 72874
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 72875
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 72876
SMILES:C(C=C(C)C)CC(C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 72877
SMILES:C12(C)Oc3cc(CCCC)c(Cl)c(O)c3C(C1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.821
CB1 binding score: -15.929
InChIKey:NKGFFZGWEJWGBK-UHFFFAOYSA-N
ID: 72878
SMILES:C1=CC2(C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -11.291
InChIKey:PXMPYXCMHWBVRF-UHFFFAOYSA-N
ID: 72879
SMILES:Oc1c(C(CCC(C)(O)C(C)C)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -18.271
InChIKey:BFTPGVVESZZBKE-UHFFFAOYSA-N
ID: 72880
SMILES:C(C=C(C)C)CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.123
InChIKey:XTHJHHRKYPIOTH-UHFFFAOYSA-N
ID: 72881
SMILES:C(C(C)=CCc1c(O)cc(CCCCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 72882
SMILES:c1ccc(-c2cc3c(c(O)c2)C2CC(O)C(C)(CCCC2(C)C)O3)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -12.615
InChIKey:IVGAHPGVGWZFQI-UHFFFAOYSA-N
ID: 72883
SMILES:c1(CCCCC)c(CC=C(CCC=C(C)C)C)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 370.621
CB1 binding score: -14.692
InChIKey:ADOLPECNBSWYHF-UHFFFAOYSA-N
ID: 72884
SMILES:CC(=C)C1C(c2c(O)cc(CCCCC)cc2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 72885
SMILES:C1CC(C)(Oc2ccc(CCCCC)cc2O)C2CC(=O)C(C)=C2CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.216
InChIKey:QYFZQBYNQPJCJF-UHFFFAOYSA-N
ID: 72886
SMILES:CC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.907
InChIKey:MPYHTOIXCDQJOI-UHFFFAOYSA-N
ID: 72887
SMILES:C1C2C(c3c(OC)cc(CCCCC)cc3OC2(C)C)(C)C(OC)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.202
InChIKey:ONTUKQYWUIWJQJ-UHFFFAOYSA-N
ID: 72888
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: 72889
SMILES:c12cc(O)ccc1OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.057
InChIKey:OGOAPLJUFMNRCL-UHFFFAOYSA-N
ID: 72890
SMILES:OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 72891
SMILES:O1c2cc(O)cc(CCCCC)c2C2C1(C)C1C(C)(CC2)CCC(C(CO)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.196
InChIKey:PWWLTBKCZKZQMJ-UHFFFAOYSA-N