ID: 65164
SMILES:c1(O)c2c(c(C(OC)=O)c(CCCCC)c1-c1ccc(O)cc1)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.584
CB1 binding score: -18.074
InChIKey:PFSQUDOCWJMKCX-UHFFFAOYSA-N
ID: 65165
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 65166
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 65167
SMILES:O=C(C)OCC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1C(=O)C1C(C1=O)C=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.52
CB1 binding score: Not available
InChIKey:PLDZFFAKLDMNBD-UHFFFAOYSA-N
ID: 65168
SMILES:C1(C)=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: 65169
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C(O)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.121
InChIKey:ISARFNRHMHICDB-UHFFFAOYSA-N
ID: 65170
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C2C(O)(C)CC3OC(C(C)(O)CC3)C2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -12.729
InChIKey:WCLFOVDOOYISGN-UHFFFAOYSA-N
ID: 65171
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.371
InChIKey:VCECSUODLPHEHD-UHFFFAOYSA-N
ID: 65172
SMILES:CC(O)(C)C1C(c2c(O)cc(CCCCCO)cc2O)C(O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.739
InChIKey:GJGWJMYQJAWZTJ-UHFFFAOYSA-N
ID: 65173
SMILES:C(CC(=O)O)CNC(C1C(C(C)C)CCC(C)C12C(=O)-c1c(O)cc(CCCCC)cc1OC2(C)CCC)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 543.745
CB1 binding score: -15.05
InChIKey:GYSFLWAQBUZDOJ-UHFFFAOYSA-N
ID: 65174
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(C)=CCC12C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.261
InChIKey:RBCCFDBRSGFMCA-UHFFFAOYSA-N
ID: 65175
SMILES:C(CC)Cc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:IXZUQKJFDLWXNQ-UHFFFAOYSA-N
ID: 65176
SMILES:C1(C)(C)C=CCC(C)=C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -13.741
InChIKey:NGHHJAYVEJFJPV-UHFFFAOYSA-N
ID: 65177
SMILES:C1(C)=CC2C(CC1O)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 65178
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1=CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.867
InChIKey:KVHGIHWABBDFMB-UHFFFAOYSA-N
ID: 65179
SMILES:C(CCCCCCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -18.531
InChIKey:QHXOCZYXQWUAQM-UHFFFAOYSA-N
ID: 65180
SMILES:C1CC2(C)OC2c2c(cc(CCCCC)c(C(OC)=O)c2O)C2C(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.728
InChIKey:BTBXJQYJBAGDTE-UHFFFAOYSA-N
ID: 65181
SMILES:Oc1cc(C2C(C(C)(C)O)CCC(C)=C2)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.872
InChIKey:PIHYHGHFWGUNTC-UHFFFAOYSA-N
ID: 65182
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)-c2cc(CCC(O)=O)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -12.871
InChIKey:XQVHUDTYUFTQSW-UHFFFAOYSA-N
ID: 65183
SMILES:C(CCC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.152
InChIKey:OEIVMCSOYSVRRF-UHFFFAOYSA-N
ID: 65184
SMILES:O(CC1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.306
InChIKey:GGEFFUWRUKCIKW-UHFFFAOYSA-N