ID: 77071
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 77072
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77073
SMILES:C(C1C(COC2C(OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C(CO)O2)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 684.776
CB1 binding score: -13.801
InChIKey:PBJHHMIOVFMMOF-UHFFFAOYSA-N
ID: 77074
SMILES:C(CC(=CCc1c(O)cc(CCCCC)cc1O)C)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 77075
SMILES:CC1C(C)(C(=O)CC(C)C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.785
InChIKey:LELBKDFOPNLIDO-UHFFFAOYSA-N
ID: 77076
SMILES:c12c(O)c(C(C)=O)c(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.946
InChIKey:QCIXEVPAXBMYJY-UHFFFAOYSA-N
ID: 77077
SMILES:Oc1c(C(CCc2c3c(c(C)cc2OC)CC(OC)C3(C)C)=O)c(C)cc2c1C1C=C(C)C3C4(OC(=O)C(C)=C4CCC13C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 612.763
CB1 binding score: -17.657
InChIKey:KKOHFWPJSMHPIV-UHFFFAOYSA-N
ID: 77078
SMILES:C12=C(C(C)(C)O)CCC1c1c(cc(CCCCC)cc1O)CC2(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.549
InChIKey:OFFLVXXMAVXAJV-UHFFFAOYSA-N
ID: 77079
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 77080
SMILES:C1(CC(C)C)c2c(O)cc(CCCCC)cc2OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.136
InChIKey:ZQBKFQCEEXATSY-UHFFFAOYSA-N
ID: 77081
SMILES:C1=CC(C)=CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)=C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.461
InChIKey:SLHVNYHCJMZYPZ-UHFFFAOYSA-N
ID: 77082
SMILES:C(C(=C)C(=O)OC)CCC(C)=CCc1c(N=C(N)N)c(C=C(C)c2cc3c(c(O)c2)C2C(CCC(C)=C2)C(C)(C)O3)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 613.799
CB1 binding score: -13.91
InChIKey:CLCQVAAHVUTEEW-UHFFFAOYSA-N
ID: 77083
SMILES:C1(C=C(C)C)Oc2c(c(O)cc(CCCCC)c2)-c2c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -11.381
InChIKey:XEUOTQFEKQNVSH-UHFFFAOYSA-N
ID: 77084
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 77085
SMILES:C1C(=O)C(C)=CC2C1C(C)(C)Oc1cc(C(CCC)=O)c(C#CC(C)(C)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.048
InChIKey:PYLBFVSYIHTWBK-UHFFFAOYSA-N
ID: 77086
SMILES:C(CC(C)=CCc1c(O)c(C)cc(O)c1)C(OC)C1=C(C)CCC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.05
InChIKey:GDPBQCRPGHUPHY-UHFFFAOYSA-N
ID: 77087
SMILES:C12(C)CC3c4c(O)cc(CCCCC)cc4OC3(C)C1C1OC(=O)C(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.39
InChIKey:YTAMAENBGFJKLP-UHFFFAOYSA-N
ID: 77088
SMILES:C1(C)=CC(=O)C2C(C)(C)Oc3c(c(O)cc(CCCC[N+](C)(C)C)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.529
CB1 binding score: -14.306
InChIKey:OTUODTKMUQPRDR-UHFFFAOYSA-O
ID: 77089
SMILES:C(CC)CCc1cc2c(cc1C)OC(C)(C)C1CCC(COC(C)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.882
InChIKey:DROSDERAOXHXIN-UHFFFAOYSA-N
ID: 77090
SMILES:C(C)(C)=CCCC(C)=CCc1cc(O)cc(CCC(O)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.64
InChIKey:JJRKAQIZHVDOFJ-UHFFFAOYSA-N
ID: 77091
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N