ID: 47965
SMILES:Oc1c(CC2C(C)(C)Oc3c2c(O)cc(CCCCC)c3)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.178
InChIKey:LGELJNIGCRWWAW-UHFFFAOYSA-N
ID: 47966
SMILES:C(C)(C1C(c2c(O)ccc(C(OC)=O)c2)C=C(C)CC1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.003
InChIKey:VPSWYBOTFPOXLO-UHFFFAOYSA-N
ID: 47967
SMILES:C1CC(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 47968
SMILES:CC1=CCCC(C)=CCOc2c(c(O)cc(CCC(C)=C)c2O)OC(C)(C)C2C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.169
InChIKey:RLSHLMLCRVAXNG-UHFFFAOYSA-N
ID: 47969
SMILES:OCC(c1cc(O)c(O)c2c1OC(C)(C)C1CC(OC(C)=O)C(=C)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -15.026
InChIKey:PVPUZMAPKULCHJ-UHFFFAOYSA-N
ID: 47970
SMILES:C1=CC(C)(C)CC(C2(CO)C=CC2O)Oc2c1c(OC)cc(CCCCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.438
InChIKey:DFEHOHBHFXCYOA-UHFFFAOYSA-N
ID: 47971
SMILES:c1c(C(O)C(=O)C)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.369
InChIKey:HGJQDCYLBQJWDY-UHFFFAOYSA-N
ID: 47972
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 47973
SMILES:C1(=O)C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 47974
SMILES:c1(O)cc(CCCC)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:IXZUQKJFDLWXNQ-UHFFFAOYSA-N
ID: 47975
SMILES:C(C)(=C)C1C(c2c(O)ccc(CCC(C)C)c2)CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -15.517
InChIKey:LCGKEEZWYNVJNI-UHFFFAOYSA-N
ID: 47976
SMILES:Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCC)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -18.455
InChIKey:AKZMYJAEOJLEIA-UHFFFAOYSA-N
ID: 47977
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -17.97
InChIKey:LCKQBFMKWBZWKP-UHFFFAOYSA-N
ID: 47978
SMILES:c1(CCCCC)ccc2c(c1CCOC(=O)C)OC(CO)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.452
InChIKey:SAGMIEDHFITABD-UHFFFAOYSA-N
ID: 47979
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 47980
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 47981
SMILES:O=C(Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.072
InChIKey:HZXXFYNGHIZSNC-UHFFFAOYSA-N
ID: 47982
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC(O)(C)C#CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.482
InChIKey:ULMIHKGEKUPFQU-UHFFFAOYSA-N
ID: 47983
SMILES:C1C(C)(C)Oc2cc(CCCC(O)C)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.152
InChIKey:AJJHAACMUMGKGY-UHFFFAOYSA-N
ID: 47984
SMILES:CC(C)C(Oc1c(CC=C(C)C)cc(C2C(C(C)=C)CCC(C)=C2)cc1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.506
InChIKey:POQJTZUWFLRNBB-UHFFFAOYSA-N
ID: 47985
SMILES:C1C=C(C)CC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C2CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -17.173
InChIKey:IIHSZKRRRCBKKO-UHFFFAOYSA-N