ID: 91519
SMILES:COc1c2c(cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)(O)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -15.595
InChIKey:ROQCXHWXLVQUDS-UHFFFAOYSA-N
ID: 91520
SMILES:C(C1(C)CC(=O)C=C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.756
InChIKey:IGOHILXFCCAIEH-UHFFFAOYSA-N
ID: 91521
SMILES:C1(=O)C(C)CC2c3c(O)cc(C)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.405
InChIKey:WZDQNEUKIXYPOF-UHFFFAOYSA-N
ID: 91522
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)C3CC13OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.774
InChIKey:GGJGYJNMWFNPGX-UHFFFAOYSA-N
ID: 91523
SMILES:C(C1CCC2C(C1C(=O)OC)-c1c(O)c(C(O)=O)c(CCC)cc1OC2(C)CCC=C(C)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.649
CB1 binding score: -14.661
InChIKey:LNAWRNOFMBCVNP-UHFFFAOYSA-N
ID: 91524
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 91525
SMILES:C1C(C(C)=C)C=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C2CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -14.523
InChIKey:QEACSDOIAJISFI-UHFFFAOYSA-N
ID: 91526
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)OC(C)(C)C1CCC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.705
InChIKey:NUXOIRBNFKJMJN-UHFFFAOYSA-N
ID: 91527
SMILES:O=C(c1c(CCCCC)cc2c(c1O)C1C(CCC(C)=C2)C(C)(C)O1)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.845
InChIKey:ZLWGNSGEDDUBFC-UHFFFAOYSA-N
ID: 91528
SMILES:C(C(Oc1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -17.61
InChIKey:RRSOJODSSKABLV-UHFFFAOYSA-N
ID: 91529
SMILES:C1=C(C)CCC2C(C(C)=C)(Oc3cc(CCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -13.616
InChIKey:AVSJURIJIQGTRJ-UHFFFAOYSA-N
ID: 91530
SMILES:CC1=C2C(c3c(cc(CCCCC)cc3O)OC1=O)OC1C(=C)CCCC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.507
InChIKey:WQDHRRTWQQSKQX-UHFFFAOYSA-N
ID: 91531
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 91532
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1CCC(C)(O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -16.085
InChIKey:RJBDTYUXECBWNC-UHFFFAOYSA-N
ID: 91533
SMILES:C(CC)(C=Cc1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.04
InChIKey:UZZMVFMIXVGWQA-UHFFFAOYSA-N
ID: 91534
SMILES:CCC(C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)C=CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.292
InChIKey:SPFOZEXXEFUIBC-UHFFFAOYSA-N
ID: 91535
SMILES:C1C(C=O)C2C(C(C)CC2)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.01
InChIKey:XREHYEOVEPRTAV-UHFFFAOYSA-N
ID: 91536
SMILES:c1c(O)c2c(cc1CCCCC)OC1(C)C(C2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.583
InChIKey:BPCSQTQTIGSQEK-UHFFFAOYSA-N
ID: 91537
SMILES:CC(C)=CCCC(C)=CCc1c(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
ID: 91538
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.385
InChIKey:OEDPJGVWHANUAE-UHFFFAOYSA-N
ID: 91539
SMILES:CC1(CO)CCCC2C1=CC(=O)c1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.391
InChIKey:PPDOYNMIZIOVGD-UHFFFAOYSA-N