ID: 16633
SMILES:C1C(C(C)=C)C(c2c(OC)c(C(=O)C)cc(C)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.217
InChIKey:NHPZMZYOKBHQOG-UHFFFAOYSA-N
ID: 16634
SMILES:C1(C)(C)c2ccc3c(c2CCC1=O)Cc1c(cc(CCCCC)cc1O)OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -16.985
InChIKey:RNLBKNFKQIPKTA-UHFFFAOYSA-N
ID: 16635
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1OC1OC(CO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.635
CB1 binding score: -16.152
InChIKey:RKVUGINXCOWYNG-UHFFFAOYSA-N
ID: 16636
SMILES:C(CC=C)Cc1cc(OC)cc(O)c1C1C=C(C)CCC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.469
InChIKey:CFALDZFNVTYMMK-UHFFFAOYSA-N
ID: 16637
SMILES:C1=C(CO)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.796
InChIKey:DWKWLEQYCMEKLK-UHFFFAOYSA-N
ID: 16638
SMILES:CC12C(Cc3c(ccc(O)c3)O1)C(C)=CCC2C(CCC(C(C)(C)O)O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.949
InChIKey:DNOQUNPMGHAOPU-UHFFFAOYSA-N
ID: 16639
SMILES:c12c(c(CCCCCC)cc(O)c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.712
InChIKey:PDUOKVPCPYYIOB-UHFFFAOYSA-N
ID: 16640
SMILES:c12c(O)c(C(OC)=O)c(CCCCC)cc1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.655
InChIKey:NXZDXWJCKZRQHS-UHFFFAOYSA-N
ID: 16641
SMILES:CC(=CCc1c(C(OC)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 370.489
CB1 binding score: -14.027
InChIKey:LISVIVHBRVLSKS-UHFFFAOYSA-N
ID: 16642
SMILES:C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 16643
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 16644
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)c(C(=O)OC)c(O)c31)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 16645
SMILES:C1(C)(C)C2CCC(C)(O2)C1CCC1(C)Oc2cc(CCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.33
InChIKey:ZCOMEPQFPFVFLM-UHFFFAOYSA-N
ID: 16646
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 16647
SMILES:C1CC(=O)C(C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.992
InChIKey:RZPVMTIHYYBWNF-UHFFFAOYSA-N
ID: 16648
SMILES:O(C(C)=O)C(c1c(C)c(C(O)=O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.16
InChIKey:XXGSXJWXZYYWAO-UHFFFAOYSA-N
ID: 16649
SMILES:C(=C(C)C(CC)=O)C=CC=Cc1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.54
CB1 binding score: -16.166
InChIKey:CYSYKUBGGFBNFH-UHFFFAOYSA-N
ID: 16650
SMILES:C(C=C(C)C)CC(=CCc1cc(CCCC)ccc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 16651
SMILES:CC(=C)C1CCC(C)=CC1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 16652
SMILES:C(C(C=C(C)C)OC(C)=O)(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -14.656
InChIKey:SMOOUTBYQKVAAE-UHFFFAOYSA-N
ID: 16653
SMILES:C(=C(C)C=CC=C(C)Cc1c2c(c(O)cc1O)C1C(C(C)(C)O2)CC=C(C)C1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -13.82
InChIKey:WBXFIIVIETXXDW-UHFFFAOYSA-N