ID: 123712
SMILES:C(OC(=O)CCCCC)C1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.847
InChIKey:NWQSPSWMSYFJGM-UHFFFAOYSA-N
ID: 123713
SMILES:C=C1C2CC=C(COC3OC(CO)C(O)C(O)C3O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.566
CB1 binding score: -15.047
InChIKey:ZMJPOGOUKLDDKU-UHFFFAOYSA-N
ID: 123714
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CCC=C(C)CCC=C(C)CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 644.937
CB1 binding score: -14.894
InChIKey:HXVDQCMMTGGHIE-UHFFFAOYSA-N
ID: 123715
SMILES:O(c1c(C2C(C(C)=C)CCC(C)=C2)cc2c(c1)OC(C)(C)C=C2)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -15.979
InChIKey:BLKDWSYOVUMWEQ-UHFFFAOYSA-N
ID: 123716
SMILES:C1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123717
SMILES:CCC1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.605
InChIKey:GZPQEQIIOQAKKW-UHFFFAOYSA-N
ID: 123718
SMILES:C(COc1c(O)cc(C)c(C2C(C(=C)C)CCC(C)=C2)c1)NC(=O)C(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.548
CB1 binding score: -12.234
InChIKey:YIQZFGNTQGYSOG-UHFFFAOYSA-N
ID: 123719
SMILES:C(C)=C(C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.844
InChIKey:MGTPUZKBZNMTES-UHFFFAOYSA-N
ID: 123720
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.968
InChIKey:RNKSQHRRYNTMIO-UHFFFAOYSA-N
ID: 123721
SMILES:c1c(CCCCC)c(C2C=C(C)CCC2C(C)=C)c2ocnc2n1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.468
CB1 binding score: -12.235
InChIKey:XTYBWMUWWKVYBI-UHFFFAOYSA-N
ID: 123722
SMILES:C(CC(C)C1(C)c2c(O)cc(C)cc2O1)C(=O)C1=CCCC(C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.762
InChIKey:BIZAOGPEOIIJAX-UHFFFAOYSA-N
ID: 123723
SMILES:COc1cc(CCCCC)cc2c1C1C(C(C)(C)OC(=O)C=CC(C)(C)O1)C(=O)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -12.186
InChIKey:ZAJVIDYIJOCAQJ-UHFFFAOYSA-N
ID: 123724
SMILES:N(C(C(C)C)=O)CCc1cc(OC2CCCC2)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 425.613
CB1 binding score: -14.636
InChIKey:MBTIOTUXEPJZKW-UHFFFAOYSA-N
ID: 123725
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.968
InChIKey:RNKSQHRRYNTMIO-UHFFFAOYSA-N
ID: 123726
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 123727
SMILES:Oc1cc(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.351
InChIKey:SQRVZRBFCFPASS-UHFFFAOYSA-N
ID: 123728
SMILES:C1(C)(C)Oc2c(c(O)cc(C(CCCCC)=N)c2CCCCC)CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 361.526
CB1 binding score: -16.548
InChIKey:ANGFYYJSHAGUFZ-UHFFFAOYSA-N
ID: 123729
SMILES:c12c(c(C)cc(OC)c1)C1C(CC(=O)C2C)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.721
InChIKey:NQQMFALVCQVFCW-UHFFFAOYSA-N
ID: 123730
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123731
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(O)(CCC1C)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.692
InChIKey:JFRKBZBJLHVVKG-UHFFFAOYSA-N
ID: 123732
SMILES:c12c(O)cc(O)c(O)c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -17.407
InChIKey:MEBXQXVNQKNBGL-UHFFFAOYSA-N