ID: 20581
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2cc(O)c(CCC(C)(O)C)c3O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.033
InChIKey:LWASTBFADOXTFY-UHFFFAOYSA-N
ID: 20582
SMILES:c1(-c2cc(C(O)=O)co2)c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -14.443
InChIKey:SHRMDHVAGUGOSA-UHFFFAOYSA-N
ID: 20583
SMILES:Oc1c(C=O)c(O)c2c3c1c(cc(CCC(O)CC)c3O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -16.876
InChIKey:RXZAGNKHRLKSJY-UHFFFAOYSA-N
ID: 20584
SMILES:C1C(C(C)C)C(c2c(O)cc(CC)cc2O)C(C)(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -15.229
InChIKey:DNEYZRWAKQIVMP-UHFFFAOYSA-N
ID: 20585
SMILES:C1(O)C(O)C(O)C(CO)OC1CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.491
CB1 binding score: -15.288
InChIKey:ULLLXCJHVIKRDL-UHFFFAOYSA-N
ID: 20586
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 20587
SMILES:C(O)c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.633
InChIKey:YCZBAHNISPFJAC-UHFFFAOYSA-N
ID: 20588
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC(O)C)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.938
InChIKey:ATHSCAKZAVQPDB-UHFFFAOYSA-N
ID: 20589
SMILES:Oc1c2c(c(Cl)c(C)c1)OC(C1CCC(C)(C)O1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.821
CB1 binding score: -15.963
InChIKey:DBAVEPCFXDVKRZ-UHFFFAOYSA-N
ID: 20590
SMILES:O(C1C(O)(C)C2C3C(C(CO)(C)Oc4cc(CCCCC)cc(O)c41)C(C=C(C(O)=O)CC3)C2)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.631
CB1 binding score: -16.265
InChIKey:MMJYSUWYRFXVEX-UHFFFAOYSA-N
ID: 20591
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.885
InChIKey:ZGTZBRKFZJGQFD-UHFFFAOYSA-N
ID: 20592
SMILES:C1C(C(C)C)C2c3c(cc(CCCCCO)cc3O)OC(C)(C1)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.705
InChIKey:DWFNTLIGKMFZCD-UHFFFAOYSA-N
ID: 20593
SMILES:CC(=C)C1C2c3c(cc(CCCCC)cc3OC1(C)C)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -12.198
InChIKey:KQNREDMSJSRJJS-UHFFFAOYSA-N
ID: 20594
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.613
InChIKey:NFNQDALVTSMCFA-UHFFFAOYSA-N
ID: 20595
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.426
InChIKey:URKSXMFPWJRPFJ-UHFFFAOYSA-N
ID: 20596
SMILES:c12c(c(C)c(C)c(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -15.929
InChIKey:POTDEUYWMSJYCT-UHFFFAOYSA-N
ID: 20597
SMILES:C1(=O)C(C)c2c(cc(C)cc2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -13.835
InChIKey:MXHMVNKIHSLRMF-UHFFFAOYSA-N
ID: 20598
SMILES:C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)=C1C(CCC(C)=O)=CCO1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -16.234
InChIKey:UEONYSPNIKUVTI-UHFFFAOYSA-N
ID: 20599
SMILES:CC1(C)C2C3c4c(cc(CCCCC)cc4OC2(C)CCC1OC(=O)C)OC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 386.532
CB1 binding score: -15.33
InChIKey:QNWFFXKILOWZCO-UHFFFAOYSA-N
ID: 20600
SMILES:c1(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.745
InChIKey:GISKVZCNFLOVAS-UHFFFAOYSA-N
ID: 20601
SMILES:O=C(C)OC(CC=C(C)C)C(CO)C1CC(C(C)=C)C(c2c(O)cc(O)cc2CCCCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -15.929
InChIKey:AUDKVEMXSZVDTL-UHFFFAOYSA-N