ID: 84946
SMILES:C1(C)=CCCC(C)C(O)C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -12.219
InChIKey:MTNZCRMZFAHNLG-UHFFFAOYSA-N
ID: 84947
SMILES:C(=O)(NC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.387
CB1 binding score: -16.333
InChIKey:PIXSAKPZFMSKBA-UHFFFAOYSA-N
ID: 84948
SMILES:CC1=CCCC2(C)Oc3c(c(O)cc(CCC)c3)C3C2C(C(C)C)CCC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.605
InChIKey:ZOPVTTCKQNCAEU-UHFFFAOYSA-N
ID: 84949
SMILES:C(C=C(C(=O)O)C)CC(=CCc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.705
InChIKey:YKUNZXHVAIWLLV-UHFFFAOYSA-N
ID: 84950
SMILES:C12CCC3(c4c(cc(CCC)cc4O)OC3(C)C)C=C1CCC1C(C)(C(OC(=O)C)CCC(C)(C)O)C1OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.741
CB1 binding score: -15.717
InChIKey:IWAZAADNNQSKEI-UHFFFAOYSA-N
ID: 84951
SMILES:CC(c1c(O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.638
InChIKey:KNZHIMYZHKNYSW-UHFFFAOYSA-N
ID: 84952
SMILES:C1=C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 84953
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1OCCc1cc(Oc2ccccc2)cc(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.613
CB1 binding score: -14.178
InChIKey:HIAJWLHEQZBRAN-UHFFFAOYSA-N
ID: 84954
SMILES:C1(C(O)=O)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -17.309
InChIKey:ZGZAYDNJXWVSHZ-UHFFFAOYSA-N
ID: 84955
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C(=O)C(=O)C2=C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.353
CB1 binding score: -17.666
InChIKey:IUXFDQSVOSGEDU-UHFFFAOYSA-N
ID: 84956
SMILES:Oc1c2c(cc(C(C(C)CC)=O)c1O)OC(C)(C)C1CC=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -16.361
InChIKey:WYGJEOQLEHMQDG-UHFFFAOYSA-N
ID: 84957
SMILES:C(=C(C)C)Cc1cc(O)cc(CCCCC)c1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 84958
SMILES:c1(O)cc(CCCCC)c(CC=C(CCC=C(C)C)C)c(OC)c1C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.553
InChIKey:HUSBXGQPPAOTIJ-UHFFFAOYSA-N
ID: 84959
SMILES:O(c1c(OC)ccc2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.672
InChIKey:RXIOJFHZIGQHTO-UHFFFAOYSA-N
ID: 84960
SMILES:C1(O)C2C(CC=C1C)C(C)(C)Oc1c2c(OC)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.647
InChIKey:APPLWVIKZXOXEA-UHFFFAOYSA-N
ID: 84961
SMILES:C1C(C(C)C)C=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.224
InChIKey:WJJKABOPJWDHDY-UHFFFAOYSA-N
ID: 84962
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(Cl)CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.815
CB1 binding score: -17.449
InChIKey:QPUFCMNHESEQCN-UHFFFAOYSA-N
ID: 84963
SMILES:c1(O)c2c(c3c(c1OC)OC1(C(CC)OC(C)(C)CC1)C3)C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.095
InChIKey:LULVXWXBNNROAA-UHFFFAOYSA-N
ID: 84964
SMILES:Oc1cc(CCCCC)cc2c1C1CC(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: 84965
SMILES:c1c(C)cc(O)c2c1OC1(C2)C(C)(C)C2=C(C(OC)C3C2CCC(C)(C)O3)C(C)(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -16.902
InChIKey:VDDILUWPSAZPII-UHFFFAOYSA-N
ID: 84966
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N