ID: 128773
SMILES:c1cc(O)c(C)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.218
InChIKey:PPQGSYXZPWMEOQ-UHFFFAOYSA-N
ID: 128774
SMILES:OC(C)(C)C1CC(N(C)C)C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.672
CB1 binding score: -14.238
InChIKey:WOMRUCFUAZEZTF-UHFFFAOYSA-N
ID: 128775
SMILES:CC(=O)OCC1(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.588
InChIKey:VALFTQDTUAQASO-UHFFFAOYSA-N
ID: 128776
SMILES:C1C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.915
InChIKey:QGXPGVCOVFFYDF-UHFFFAOYSA-N
ID: 128777
SMILES:c1(OC)c(OC)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.393
InChIKey:MFSNUNSWCXUQGE-UHFFFAOYSA-N
ID: 128778
SMILES:C1(O)CC(CCc2cc(O)ccc2O)C(=O)OC1(C)CC=CC(C)(C)OO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.437
CB1 binding score: -15.322
InChIKey:BHVZLJQUQFHSCI-UHFFFAOYSA-N
ID: 128779
SMILES:CC(O)Cc1c(O)c2c(cc1C)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.46
InChIKey:VWUXLMXPQYXULF-UHFFFAOYSA-N
ID: 128780
SMILES:c1(O)c(C2C=C(C)C(O)CC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 128781
SMILES:C(C)(C)=CCCC(=CCCC1=CCC(C2OC(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -9.835
InChIKey:LQYAMXQLNXLWPL-UHFFFAOYSA-N
ID: 128782
SMILES:c12cc(O)ccc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 128783
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C(=C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:KKGGNLGHOSMNOH-UHFFFAOYSA-N
ID: 128784
SMILES:C(=CC1C(C(CCC=C(C)C)C)CCC1(C)Oc1cc(CCCCC)cc(OC)c1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: Not available
InChIKey:HHNKKKCYBJDFFZ-UHFFFAOYSA-N
ID: 128785
SMILES:C12CCC(C)=CC1c1c(O)cc(CCC)cc1OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.333
InChIKey:RROKRNMCCAYLDN-UHFFFAOYSA-N
ID: 128786
SMILES:C1(C(=O)O)=CCCC2C1c1c(cc(CCCCC)cc1O)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.119
InChIKey:UZAKHHHLUMDXKL-UHFFFAOYSA-N
ID: 128787
SMILES:C(Cc1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)=CC1)C(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -12.613
InChIKey:XHRVSJZRUCRDOL-UHFFFAOYSA-N
ID: 128788
SMILES:C(C(C)=CC(CC(C)(O)C=C)O)C1(C)C(C)Cc2c(O)cc(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.605
InChIKey:DBOPTWVVYFRHLV-UHFFFAOYSA-N
ID: 128789
SMILES:c1(=O)c2c(O)cc(CCCCC)cc2OC(CCC=C(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.376
InChIKey:AAZSXXIEAYXFSH-UHFFFAOYSA-N
ID: 128790
SMILES:c12cc(C)c(CC(=O)CCCC)cc1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.004
InChIKey:PTFJDIHEKIQQCT-UHFFFAOYSA-N
ID: 128791
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)=CC2=O)C(=C(C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 366.545
CB1 binding score: -14.581
InChIKey:OZMMRGRAFFYZEK-UHFFFAOYSA-N
ID: 128792
SMILES:O=C(c1c(CCCCC)cc2c(c1O)CC1C(C)(O2)CCCC1(C)C)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.506
InChIKey:GOOUMTZYAFBPGQ-UHFFFAOYSA-N
ID: 128793
SMILES:C(C=C(C)C=O)CC(C)=CCc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.845
InChIKey:NHAAAGVKUCYAQA-UHFFFAOYSA-N