ID: 35092
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 35093
SMILES:OC12OC13c1c(cc(CCCCC)cc1O)OC(C)(C)C(CC=C(C)C)CC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.264
InChIKey:KGPACWWHQTUFQL-UHFFFAOYSA-N
ID: 35094
SMILES:C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.943
InChIKey:RWMAQBCDUGRZMD-UHFFFAOYSA-N
ID: 35095
SMILES:C1C=C(C)CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)C1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: Not available
InChIKey:CWZJGKFQASRVFA-UHFFFAOYSA-N
ID: 35096
SMILES:O(c1c(=O)c2c(oc3c(c1O)C=CC(C)(C)O3)OC(C)(C)C1CCC(C)=CC12)c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.675
CB1 binding score: -16.514
InChIKey:DNOZDOKSSIVYLX-UHFFFAOYSA-N
ID: 35097
SMILES:C1CC2C(C(O)C1C)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.065
InChIKey:RYXGOJPTUQABOS-UHFFFAOYSA-N
ID: 35098
SMILES:C1CC(=C(C)CCC=C(C)C)CC2c3c(O)c(C(=O)O)c(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.249
InChIKey:IASUQIUBDLCDMA-UHFFFAOYSA-N
ID: 35099
SMILES:O=C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1CCC(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.554
InChIKey:QPFGKVONEKFILU-UHFFFAOYSA-N
ID: 35100
SMILES:CC(CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1C2C(O)C(C)(O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -15.188
InChIKey:RPZZOECHPSQLKZ-UHFFFAOYSA-N
ID: 35101
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.975
InChIKey:DHXIVHTVASKKFZ-UHFFFAOYSA-N
ID: 35102
SMILES:CC1(C)C2C(c3c(cc(CCC)cc3O)OC2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.25
InChIKey:BHYSPAAFQNTXHI-UHFFFAOYSA-N
ID: 35103
SMILES:C(C)(CCC=C(C)C)CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 362.51
CB1 binding score: -17.036
InChIKey:ZESRVAFEBICQQU-UHFFFAOYSA-N
ID: 35104
SMILES:C12c3c(cc(CCCCC)cc3OCC1O)OC(C)(C)C2CCC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.284
InChIKey:UUYWDEURXDKKIS-UHFFFAOYSA-N
ID: 35105
SMILES:OCC1Oc2c(c(O)cc(CC(=O)C(C)=C)c2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.699
InChIKey:TXPWMFCUXPSQRU-UHFFFAOYSA-N
ID: 35106
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)c(CCOC(=O)C)c(O)c32)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -15.75
InChIKey:VYTMPEQEFPQFGD-UHFFFAOYSA-N
ID: 35107
SMILES:CC1=CC2(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.536
InChIKey:LEAHKQQDDJFFDP-UHFFFAOYSA-N
ID: 35108
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35109
SMILES:C1C(Cl)C(C)(C)Oc2c1c(O)cc(CCCCC)c2C(=O)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.919
CB1 binding score: -15.807
InChIKey:YVQVMCOFOPCEEG-UHFFFAOYSA-N
ID: 35110
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)c(C(=O)CCC)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.969
InChIKey:ALHTVJYQRULUNP-UHFFFAOYSA-N
ID: 35111
SMILES:C1C(CCC=C(C)C)(C)Oc2c(c(O)c(C(O)=O)c(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.183
InChIKey:RBYHMOSCIJGIOD-UHFFFAOYSA-N
ID: 35112
SMILES:c12c(cc(C)c(CCCC)c1)OC(C)(C)C1CCC(C)=C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.816
InChIKey:WNNKVSRAEIWXPD-UHFFFAOYSA-N