ID: 81040
SMILES:C(C(C)(C)CC)CCC1(C)Oc2ccc(O)cc2C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -15.454
InChIKey:CELHSGYWWQEQLB-UHFFFAOYSA-N
ID: 81041
SMILES:C(Cc1c(O)c2c(c(C(CCc3ccccc3)=O)c1O)OC(C)(C)C1CCC(C)=CC12)=C(C)C
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Chalcones
MW: 460.614
CB1 binding score: -16.418
InChIKey:GBJLATYUVKCBMT-UHFFFAOYSA-N
ID: 81042
SMILES:CC(CC(=O)C=C(C)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -17.947
InChIKey:ZXDVFJZNEMZQLZ-UHFFFAOYSA-N
ID: 81043
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.818
InChIKey:SXJFYLVUJWCYIH-UHFFFAOYSA-N
ID: 81044
SMILES:CC1=CCC2C(C)(CCC(C)C2C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.904
InChIKey:VIRZOHKLRQIMHW-UHFFFAOYSA-N
ID: 81045
SMILES:Oc1ccccc1C12C(=O)C3(CC=CC(C)(C)O)C(C)(C)C(C1)CC3C2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.88
InChIKey:IODBHQPRMDLSCH-UHFFFAOYSA-N
ID: 81046
SMILES:CCCCC(=O)c1c(O)ccc2c1OC(C)(C)C1CC=C(C)CCC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.581
InChIKey:PGYLDPDWHXFSHG-UHFFFAOYSA-N
ID: 81047
SMILES:C(C(CC(O)=O)CC(=O)O)Cc1c2c(c(C(=O)O)c(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.496
CB1 binding score: -14.351
InChIKey:AYUQVWAXKFDCJY-UHFFFAOYSA-N
ID: 81048
SMILES:C1C2C(C)(C)CCCC2(C)Oc2c1cc(O)cc2CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.84
InChIKey:KMKYUWAKSQLATG-UHFFFAOYSA-N
ID: 81049
SMILES:C=C1C(C)(C)C2C(O)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.53
InChIKey:BEOXRLBGSHFWNA-UHFFFAOYSA-N
ID: 81050
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.691
InChIKey:JUCOHRGEXRGBDB-UHFFFAOYSA-N
ID: 81051
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.196
InChIKey:DFJQDSHPYZAGQZ-UHFFFAOYSA-N
ID: 81052
SMILES:C1C(C=C)(C)OC(C)(C)C2Cc3c(O)c(C(=O)O)c(CCCCC)cc3OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -13.771
InChIKey:ZBJSOJNBTIMEOQ-UHFFFAOYSA-N
ID: 81053
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(c2ccccc2)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.585
CB1 binding score: -16.025
InChIKey:BUNSIIUWLXXDSY-UHFFFAOYSA-N
ID: 81054
SMILES:c1(CCCC)cc2c(c(O)c1C=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.355
InChIKey:UZIZJAVHAOBAME-UHFFFAOYSA-N
ID: 81055
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 81056
SMILES:C(OCC(N)c1ccc2c(c1)OC(C)(C)c1c-2cc(C)cc1)(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.479
CB1 binding score: -16.571
InChIKey:FSHDUFMIOPOMQK-UHFFFAOYSA-N
ID: 81057
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(C=C(C)C)c1C(=O)O)(C(=C)C)CCC(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.837
InChIKey:BZYFXAWIDRLBJW-UHFFFAOYSA-N
ID: 81058
SMILES:c1c(O)c(O)c(CC(CCCCC)C2=C(O)C3(CC(C(=C)CO)CC2)OC(C)(C)C(Cl)C3O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 509.083
CB1 binding score: -14.72
InChIKey:FPYGZZXCAQTQGM-UHFFFAOYSA-N
ID: 81059
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.08
InChIKey:SBSHYSLQGCOTMI-UHFFFAOYSA-N
ID: 81060
SMILES:C1(=O)C(C)CC2c3c(cc(CCC)cc3O)OC1(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.138
InChIKey:QBBYDKBLVAKIHL-UHFFFAOYSA-N