ID: 62539
SMILES:O1c2cc(CCCCC)c(C=O)c(OC(C)=O)c2CC2C(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.976
InChIKey:UFTUOZAPKMSNEH-UHFFFAOYSA-N
ID: 62540
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 62541
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 62542
SMILES:C(C(C)=CCc1c(O)c(CC=C(CO)C)cc(O)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.107
InChIKey:HEPVHLYEBLYJRZ-UHFFFAOYSA-N
ID: 62543
SMILES:CC1=C2C(O)(c3c(O)cc(CCC)cc3OC2(C)C)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.527
InChIKey:AQMCAYKGILVFSX-UHFFFAOYSA-N
ID: 62544
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)C2C(C2(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.431
InChIKey:JMTGWXCYLFYKTJ-UHFFFAOYSA-N
ID: 62545
SMILES:c1(CCc2cc(C3(C)CC(C)(C)CCC3)c(C(C(C)C)=O)c(O)c2)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.819
CB1 binding score: -13.168
InChIKey:AABMMHIKNMIEKE-UHFFFAOYSA-N
ID: 62546
SMILES:Oc1c(C(C(C)CC)=O)c2c(c(C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.579
InChIKey:QLQOBEBVMLQFNL-UHFFFAOYSA-N
ID: 62547
SMILES:C(CCCC)CCCc1c(C(=O)O)c(O)c2c(c1O)C1C(C(C)(O)C)CCC(C)=C1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -15.344
InChIKey:JUYZEZLMNYNRJI-UHFFFAOYSA-N
ID: 62548
SMILES:c1c(CCCCC)cc2c(c1O)c1c(cc2O)OC2(C)C3C(C(C(C)C)CC1)C2O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -10.906
InChIKey:NKLNJYFXUOVPFB-UHFFFAOYSA-N
ID: 62549
SMILES:c12c(cc(CCCCC)c(O)c1O)CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.369
InChIKey:YKHVXSXKJCVQCW-UHFFFAOYSA-N
ID: 62550
SMILES:C(CCCCCCCC)Cc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.847
InChIKey:KVIPTNQBRAMXES-UHFFFAOYSA-N
ID: 62551
SMILES:C1=C(C)C2CC(C(O)(C)C)Oc3c2c(cc(CCCCC)c3)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.995
InChIKey:CYPFMKCIMAZGPQ-UHFFFAOYSA-N
ID: 62552
SMILES:CC12CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:PCVJZMJVVXZXLG-UHFFFAOYSA-N
ID: 62553
SMILES:C(C1CCC(C)CC1c1c(OC)cc(CCc2ccccc2)cc1O)C=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.702
CB1 binding score: -15.946
InChIKey:HNDZNTYUXWLTLA-UHFFFAOYSA-N
ID: 62554
SMILES:C1(C(=O)O)(C)C2C(C)(CC(OC(=O)C)C(C)C23Cc2c(O)cc(CCCCC)cc2O3)CC(C(C)(C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.702
CB1 binding score: -14.661
InChIKey:DCKAXKKLRAKOBC-UHFFFAOYSA-N
ID: 62555
SMILES:C(C)(=C)C1C(OC(C=Cc2ccc(O)cc2)=O)C(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.586
CB1 binding score: -15.258
InChIKey:ICMXITWSRILOAQ-UHFFFAOYSA-N
ID: 62556
SMILES:C(CCCC)c1cc(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 62557
SMILES:C12C(C)(CCC(O)C1(C)C)Oc1c(c(OC)cc(CCCCCC[N+](C)(C)C)c1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.642
CB1 binding score: -14.463
InChIKey:HHSYRRVGXLIRNA-UHFFFAOYSA-N
ID: 62558
SMILES:c1(C)c2c3c(c(CCCCC)cc(OC(C)=O)c3)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.1
InChIKey:NUXGFGMGQDFMCN-UHFFFAOYSA-N
ID: 62559
SMILES:C1=C(C)C2C(C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.78
InChIKey:VNNGYKDIPIHHID-UHFFFAOYSA-N