ID: 56512
SMILES:C(C(C)=O)CC(c1c(O)c2c(c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -15.87
InChIKey:JYYSXJMSPHGCLO-UHFFFAOYSA-N
ID: 56513
SMILES:C(CCCC)c1cc2c(c(O)c1C=O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.987
InChIKey:UZNDELLFDFNQSX-UHFFFAOYSA-N
ID: 56514
SMILES:C1=CC(=O)C2C3C(c4c(cc(CCCCCO)cc4O)OC3(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -16.288
InChIKey:XBEOAQKZMQNEEM-UHFFFAOYSA-N
ID: 56515
SMILES:O(C)C(C1(C)C(O)CCC2(C)Oc3c(c(O)cc(CCC)c3)C12)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -16.531
InChIKey:KEIGKTGEIKVNRM-UHFFFAOYSA-N
ID: 56516
SMILES:C12Cc3c(OC(C)=O)c(C(=O)O)c(CCCCC)cc3OC1(C)CCC(C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -13.579
InChIKey:QTCWYJKRISAGQC-UHFFFAOYSA-N
ID: 56517
SMILES:c1c(C(OC)=O)cc(OC)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.088
InChIKey:CRYGXRDUTAMOLH-UHFFFAOYSA-N
ID: 56518
SMILES:C123OC1(C(C)(C)Oc1cc(CCCCC)cc(O)c12)CCC(C(O)=O)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.965
InChIKey:FGZMYUNCLVQDPD-UHFFFAOYSA-N
ID: 56519
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17
InChIKey:CGYHWLVCHKZQHO-UHFFFAOYSA-N
ID: 56520
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 56521
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2=CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.957
InChIKey:BXBPYYDKENEJGP-UHFFFAOYSA-N
ID: 56522
SMILES:c1c(OC)cc(CCc2c(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(O)=O)c2CC(C)C)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -15.374
InChIKey:WSHZAUKHWHRTQQ-UHFFFAOYSA-N
ID: 56523
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.604
InChIKey:AUPXTHSHVYGTBU-UHFFFAOYSA-N
ID: 56524
SMILES:C(C)(=C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.563
InChIKey:CODIXLGYYWMJFS-UHFFFAOYSA-N
ID: 56525
SMILES:c1c(C)c(CC=C(C)CCC=C(C)C)cc(O)c1C1C=C(C)CCC1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.616
CB1 binding score: -15.712
InChIKey:XZEZVZQAZUEJLU-UHFFFAOYSA-N
ID: 56526
SMILES:C(Cc1c(O)c(C(C(CC)C)=O)c(O)c2c1OC1(C)C=CC2C(C)=CCC1C(=C)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.24
InChIKey:NLHYCVRXEQFWQP-UHFFFAOYSA-N
ID: 56527
SMILES:C(CC=C(C)C)C1(C)Oc2cc(CCC)cc(O)c2C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.427
InChIKey:UICJWNGMMYLYIP-UHFFFAOYSA-N
ID: 56528
SMILES:C1(C)C2=C(c3c(O)cc(CCCCC)cc3O1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.22
InChIKey:OMIJQODZPDFXIO-UHFFFAOYSA-N
ID: 56529
SMILES:C(C(O)(CCC1OC1(C)C)C)=CCC(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.975
InChIKey:DZRSJLGYTFIFGP-UHFFFAOYSA-N
ID: 56530
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C(O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 56531
SMILES:c1cc2c(c(C)c1)CC1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -14.201
InChIKey:XHBLEURJNQJTJE-UHFFFAOYSA-N
ID: 56532
SMILES:CC(=CCCC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N