ID: 3802
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)C1CC(C(C)C(=O)C1=C(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.44
InChIKey:WNSVKSODPUDYJJ-UHFFFAOYSA-N
ID: 3803
SMILES:CC(=C)C1C(c2c(O)cc(O)cc2CCCCC)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 3804
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(O)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 3805
SMILES:C1C(C(=C)C)C(c2c(O)cc(CC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 3806
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC(C)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -17.898
InChIKey:UTLOHIYXFFDSOJ-UHFFFAOYSA-N
ID: 3807
SMILES:C(C)(=CCCC1(C)C=Cc2c(O)cc(CCC)cc2O1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -18.68
InChIKey:RFSBDKOBPVLAOQ-UHFFFAOYSA-N
ID: 3808
SMILES:CC(O)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)OC(C=CC(CC)C(C)(C)OC)C(O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.627
CB1 binding score: -14.213
InChIKey:PTWIQOUOCKFKOL-UHFFFAOYSA-N
ID: 3809
SMILES:C1=Cc2c(cc(C)c(O)c2)OC1(CCC=C(CCCC(=O)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.652
InChIKey:IOEYAXWLIGJRNQ-UHFFFAOYSA-N
ID: 3810
SMILES:C1(=CC)Oc2c3c(oc(=O)c2C(C)(CCCC(C)CC=CC(C)=C)O1)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -14.439
InChIKey:PLEDGWKMPBAQIQ-UHFFFAOYSA-N
ID: 3811
SMILES:c12cc(CCCC(C)=O)c(OC)cc1C(C)(C)Oc1cc(O)cc(C)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.411
InChIKey:NPGRFRHYQXCHAP-UHFFFAOYSA-N
ID: 3812
SMILES:C=C(C(OCC1C(O)C(O)C(O)C(O)O1)=O)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.549
CB1 binding score: -12.769
InChIKey:WNSBAEGYCQSGID-UHFFFAOYSA-N
ID: 3813
SMILES:C(=CCCC1(C)C=Cc2cc(O)ccc2O1)(C)CCC1C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.509
InChIKey:XTVFMVOKSWJIQO-UHFFFAOYSA-N
ID: 3814
SMILES:C1C2c3c(O)cc(CCCCC)cc3OC(C=C2)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.446
InChIKey:XYMLLNQBIRSCRN-UHFFFAOYSA-N
ID: 3815
SMILES:O=C(c1cc2c(cc1C#CCC(CCC=C(C)C)(C)O)OC(C)(C)C1C2C=C(C)CC1)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -14.903
InChIKey:GMOVUNAYBHMQOK-UHFFFAOYSA-N
ID: 3816
SMILES:C1(=C)CCC(C(O)(C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.123
InChIKey:UJJWRJBFMTWWIQ-UHFFFAOYSA-N
ID: 3817
SMILES:C1(O)C(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(O)c3C=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -15.916
InChIKey:CIOMUWIZLJLJNU-UHFFFAOYSA-N
ID: 3818
SMILES:C1(C=O)=CC2C(CC1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.956
InChIKey:KZZGLSUGCLMLNA-UHFFFAOYSA-N
ID: 3819
SMILES:C(NN=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.499
CB1 binding score: -12.869
InChIKey:MKWWFQHQPIHSSG-UHFFFAOYSA-N
ID: 3820
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 3821
SMILES:c1c(C=O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(=C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -15.98
InChIKey:OTCXMJKZSMPOLK-UHFFFAOYSA-N
ID: 3822
SMILES:Oc1c2c(c(CCCCC)cc1O)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.12
InChIKey:ZIDZDMFRXDVZJT-UHFFFAOYSA-N