ID: 32068
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -19.478
InChIKey:UELYWRAKVJEDIL-UHFFFAOYSA-N
ID: 32069
SMILES:Oc1cc2c(cc1C)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.998
InChIKey:HMRGWPVLBIOXNP-UHFFFAOYSA-N
ID: 32070
SMILES:OC1CC2(C(CCCC(C)(C)O)C)Oc3c(c(O)cc(CCCCC)c3)C2C1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -12.737
InChIKey:HYGQUOWKTABMEH-UHFFFAOYSA-N
ID: 32071
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(C)c2c1CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.078
InChIKey:VTGYEINBDRQHSG-UHFFFAOYSA-N
ID: 32072
SMILES:C(C1=CC2C(C(C)(C)Oc3c2cccc3)CC1C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.334
InChIKey:CQGBELDPNAHUOP-UHFFFAOYSA-N
ID: 32073
SMILES:C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.306
InChIKey:BETAZIWVUZITHJ-UHFFFAOYSA-N
ID: 32074
SMILES:O(CC=C(C)C)c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.123
InChIKey:JPWWWWLIPKTXBA-UHFFFAOYSA-N
ID: 32075
SMILES:C(C=C(C)C)(CC(=CCCC1(C)C=Cc2c(c(O)cc(CCCCC)c2O)O1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.127
InChIKey:PJTDOZLBJLNCKK-UHFFFAOYSA-N
ID: 32076
SMILES:c1(=O)c(O)cc(CCCCC)cc2c1OC(C)(C)C1C2CC(C)C2(O)C3C=C(C)C(C3C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -17.393
InChIKey:MALBZDGIHAEDMK-UHFFFAOYSA-N
ID: 32077
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)OC)C(O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -12.131
InChIKey:AIXXOPGLCXTDGX-UHFFFAOYSA-N
ID: 32078
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2)(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.49
InChIKey:LGPSWXIAVSIFLF-UHFFFAOYSA-N
ID: 32079
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CC1(OC(C=CC=CC=CCCC)=O)C(C)(CCC1=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -16.078
InChIKey:VLOXRLCODOACFN-UHFFFAOYSA-N
ID: 32080
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(=C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 32081
SMILES:C1C2C(C)(C)Oc3c(c(OC)cc(O)c3C(=O)CC(C)C)CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.936
InChIKey:QJWKESLBMSWYDW-UHFFFAOYSA-N
ID: 32082
SMILES:C(O)C1=CC(c2c(O)cc(C)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.208
InChIKey:OXZCBTQIWYERBT-UHFFFAOYSA-N
ID: 32083
SMILES:c1(C2=C(O)C(=O)C(CCCCC)=C2)cc(CC=C(C)CCC=C(C)C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.78
InChIKey:LMEDONBKYUHAGP-UHFFFAOYSA-N
ID: 32084
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(C(=O)CCC)c1)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.442
InChIKey:VZHINZDXFNVFRH-UHFFFAOYSA-N
ID: 32085
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CCC(COC(=O)C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 32086
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.844
InChIKey:DHOXLQJAMAKRMH-UHFFFAOYSA-N
ID: 32087
SMILES:C(C)CCC(CC(C)C=C(C)c1oc2c(c(=O)c1)c(O)cc(O)c2CC=C(C)C)C(C)(C)C1CC=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.781
CB1 binding score: -15.813
InChIKey:GZFCQAHCLJMIPI-UHFFFAOYSA-N
ID: 32088
SMILES:C(C=C(CCC=C(C)C)C)c1c(OC)cc(CCCCC)c(C(=O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 358.522
CB1 binding score: -17.351
InChIKey:ZJEGBCIGFPDXCO-UHFFFAOYSA-N