ID: 52984
SMILES:C(Cl)C12Oc3c(c(O)cc(CCCCC)c3)C=C1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.832
CB1 binding score: -19.919
InChIKey:HOXQIDHEVASNIS-UHFFFAOYSA-N
ID: 52985
SMILES:CC12C(CC(C(C)C)C(=O)C1)c1c(cc(CCCCCO)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -12.506
InChIKey:OBTPTBYCFMLVJM-UHFFFAOYSA-N
ID: 52986
SMILES:c1(C2CCC(=C)C(O)CC=C(C)C=C2)c(O)c(C)c(C(C(C)CC)OC(C)=O)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.67
InChIKey:ABGBYMBFTHATIB-UHFFFAOYSA-N
ID: 52987
SMILES:O=c1c(O)cc(CCCCCCCC)cc2c1cc1c(c2)C(CCC=C(C)C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: Not available
InChIKey:WBFFURDPIRNMQW-UHFFFAOYSA-N
ID: 52988
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(O)(C)C1=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.502
InChIKey:UWUBSCLYDXIFCN-UHFFFAOYSA-N
ID: 52989
SMILES:c1cc(CCCCC)cc2c1-c1c(c(O)c(C)c(O)c1C)OC(C)(C)CC2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -13.245
InChIKey:PGUSKWDVVDTTTC-UHFFFAOYSA-N
ID: 52990
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(CCC=C(C)C)(C)C(CC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 466.75
CB1 binding score: -16.833
InChIKey:DTRUIVKAWQUINV-UHFFFAOYSA-N
ID: 52991
SMILES:CC(C1CCC=C(C)C1c1c(O)cc(CCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 272.432
CB1 binding score: -15.629
InChIKey:RAXCBXQTVSSUTH-UHFFFAOYSA-N
ID: 52992
SMILES:CC(C)=CCCC(=CCCC(C)=CCOc1cc(CCCCC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.832
InChIKey:BNWJZHOKQJYRLP-UHFFFAOYSA-N
ID: 52993
SMILES:C12C(C)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 52994
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52995
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 52996
SMILES:C(C)CCc1cc(O)c(C2C(C(C)C)=CCC(C)C2=O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.722
InChIKey:OMQRXUIOFDKIIC-UHFFFAOYSA-N
ID: 52997
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C=O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 52998
SMILES:O1C(C)(C)C2C(c3c(O)c(O)c(O)cc31)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.236
InChIKey:GJBKAKGBGYJUCA-UHFFFAOYSA-N
ID: 52999
SMILES:C(CC1C(C)=CC(c2cc(CNC)cc(O)c2O)C(C(C)=C)C1)(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -16.497
InChIKey:CYNSMQHXCJRPHO-UHFFFAOYSA-N
ID: 53000
SMILES:C(C)CC(OCc1c2c(c(OC)c(C=Cc3cccc(OC)c3O)c1OC(C)=O)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 564.675
CB1 binding score: -8.162
InChIKey:SPPAGVXZSWDHTL-UHFFFAOYSA-N
ID: 53001
SMILES:CC1=C2C(CC1=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.972
InChIKey:XHFHDAVBENMYIX-UHFFFAOYSA-N
ID: 53002
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(CCC=C(C)C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -11.635
InChIKey:QCNODDXXVIZXAP-UHFFFAOYSA-N
ID: 53003
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.556
InChIKey:ADTDKLWPXAADOC-UHFFFAOYSA-N
ID: 53004
SMILES:C1C(CO)(C)C(O)C2C(O)(C1)c1c(cc(C)cc1O)OC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: -12.693
InChIKey:FNGGICLHIRMLPN-UHFFFAOYSA-N