ID: 42694
SMILES:c1(CCCCC)cc2c(c(O)c1C(=O)O)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 42695
SMILES:C12CCC(O)c3c(cc(CCCCC)cc3OC)OC1(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -12.999
InChIKey:JLDOIJMRCFUVKG-UHFFFAOYSA-N
ID: 42696
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 42697
SMILES:CC1=CC2c3c(cc(CC=C)cc3O)OC(C)(C)C2CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -16.015
InChIKey:HTNSRGJGWNURRJ-UHFFFAOYSA-N
ID: 42698
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42699
SMILES:C1C(C)=CC(c2c(O)ccc(C(CC(OCC)=O)O)c2O)C(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.777
InChIKey:FOEGUWYYKMVQSE-UHFFFAOYSA-N
ID: 42700
SMILES:CC12CCC3OC(=O)C(C)=C3C1c1c(cc(CCCCC)c(O)c1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.329
InChIKey:HJSVQZRIQJPCHA-UHFFFAOYSA-N
ID: 42701
SMILES:C(C)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 42702
SMILES:C(CCc1cc2c(c(O)c1)OC(C)(C)C1=CCC(C(=O)O)(C)CC12)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.442
InChIKey:GXSAUBVVVANIJJ-UHFFFAOYSA-N
ID: 42703
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 302.458
CB1 binding score: -17.684
InChIKey:SQNFBZBGPYOMLU-UHFFFAOYSA-N
ID: 42704
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(CCCCC)cc4c3C(O)C(O)OC4(C)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.078
InChIKey:XEIRAPXDMFBIHU-UHFFFAOYSA-N
ID: 42705
SMILES:C1C(C)=CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 42706
SMILES:C1(O)CC(C(C)=C)C(c2cc(CNC)cc(O)c2)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -14.894
InChIKey:JUSMICICDKMUML-UHFFFAOYSA-N
ID: 42707
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.797
InChIKey:RRDGRYPQJSYRLC-UHFFFAOYSA-N
ID: 42708
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(O)(C)CCC1C(C)(C)O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.369
InChIKey:UZGPMGSNNVJGFX-UHFFFAOYSA-N
ID: 42709
SMILES:C1C2(C)C(Cc3c(OC(C)=O)cc(CCCC)cc3O2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.209
InChIKey:OQSXALSIYAFCSU-UHFFFAOYSA-N
ID: 42710
SMILES:CC1(C)Oc2cc(O)cc(CCCCC)c2C2CC3(C)CCC3C(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.157
InChIKey:ZEXXPAIMSVBHLT-UHFFFAOYSA-N
ID: 42711
SMILES:c12c(cc(O)cc1)OC(C)(C)C1C2CC(C)(O)C12CC=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.716
InChIKey:QTBXQJKTSJKSDL-UHFFFAOYSA-N
ID: 42712
SMILES:C(CCC)c1cc(O)cc2c1OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -17.328
InChIKey:KWMFVCYQLSCJSU-UHFFFAOYSA-N
ID: 42713
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 42714
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N