ID: 71905
SMILES:C(C(C)=CCc1c(O)c(C)cc(O)c1)C=CC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.746
InChIKey:SAVHMKMRPFLBRI-UHFFFAOYSA-N
ID: 71906
SMILES:C1Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 192.258
CB1 binding score: -17.99
InChIKey:CBNHBFQWUZBCDS-UHFFFAOYSA-N
ID: 71907
SMILES:CCC(C)(C(OC(=O)C)c1c(O)cc2c(c1)C(=C)C1(CC2)C(C)(C)OC(=O)C=C1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -14.907
InChIKey:QQBRSSRKRKQAKB-UHFFFAOYSA-N
ID: 71908
SMILES:C(CC1C(C)(C)Oc2c3c(c4c(c2OC)CC(C2C(C)(C)O2)=C1O)OC(C)(C)C4CCC3C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.033
InChIKey:XQYIWLPSDHZHKN-UHFFFAOYSA-N
ID: 71909
SMILES:c1c(C(NC2(C)CC3C(C)(C)Oc4cc(C)ccc4C3C(=C)C2)=O)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 375.512
CB1 binding score: -16.245
InChIKey:FIVIWVOIISFEDY-UHFFFAOYSA-N
ID: 71910
SMILES:C(CC=C(C)C)C(=CCCC(=CCc1cc(O)c(CC(=O)O)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merosesquiterpenoids;Tetraketide meroterpenoids
MW: 372.505
CB1 binding score: -18.306
InChIKey:BDRGSNYWOXCBFU-UHFFFAOYSA-N
ID: 71911
SMILES:O=C(C(C)CC)OC1C(OC(C(C)C)=O)c2c3c(c(O)c(C4C(C(C)=C)CCC(C)=C4)c(O)c3c1C)OC(C)(C)C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.718
CB1 binding score: -13.66
InChIKey:QGPGYKBFEZWNKE-UHFFFAOYSA-N
ID: 71912
SMILES:Oc1cc(C)cc2c1C1CC(C(C)(C)O2)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.407
InChIKey:HIBMCWRVJPNAIW-UHFFFAOYSA-N
ID: 71913
SMILES:C1=CC2(C)Oc3c(c(O)cc(CCCCCO)c3)C3C(C)(C)C3C2C(C(C)=CC)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.669
InChIKey:JUFLUQBMUWDZQU-UHFFFAOYSA-N
ID: 71914
SMILES:O=C(OCC)C(Cc1cc(O)c2c(c1)OC1(OC(C(CC=CC(C)=C)C)(C)C(O)CC1)C2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -15.191
InChIKey:DLXWCJZZSSBOJV-UHFFFAOYSA-N
ID: 71915
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 71916
SMILES:C(Oc1cc2c(c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1CC=C(C)CC12)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.697
CB1 binding score: -14.686
InChIKey:ONHRAQFEXOPXSM-UHFFFAOYSA-N
ID: 71917
SMILES:c1c(O)c(-c2c(O)cc(CCCC)cc2O)c(CC=C(C)CCC=C(C)C)c(O)c1CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -15.739
InChIKey:ULGMQYBVKUPXLO-UHFFFAOYSA-N
ID: 71918
SMILES:c1(C(=O)C(C(C(C(C)C)=O)C)C)c(C)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.302
InChIKey:RGBIIWVYVXEMJI-UHFFFAOYSA-N
ID: 71919
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.627
InChIKey:WKVIRZJNKJVJOP-UHFFFAOYSA-N
ID: 71920
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 71921
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C=C(C(O)=O)CCC1(O)C(C)C2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.638
InChIKey:ZZMVOOMNOCQFCB-UHFFFAOYSA-N
ID: 71922
SMILES:C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C(C(=O)CC3C2(C)CC(O)CC3(C)C)C1)#N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 451.607
CB1 binding score: -14.868
InChIKey:UBQAYJGGRHOSFK-UHFFFAOYSA-N
ID: 71923
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 71924
SMILES:c1(O)cc(CCCC)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.388
InChIKey:JVHXRDRCUSAQKS-UHFFFAOYSA-N
ID: 71925
SMILES:c1(Cl)cc2c(cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.78
CB1 binding score: -16.169
InChIKey:MANVZXKACCLORL-UHFFFAOYSA-N