ID: 86206
SMILES:C1=C(C)CC=CC(C)(C)Oc2c1c(O)cc(CCCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.784
InChIKey:RXOIFRYATUIINI-UHFFFAOYSA-N
ID: 86207
SMILES:OC(CCC(C)=CCc1c(O)cc(CCC)cc1O)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.105
InChIKey:IWKFDQAKCFDQJE-UHFFFAOYSA-N
ID: 86208
SMILES:CC1=CC(=O)C2=C(C)CC3c4c(O)cc(CCC)cc4OC(C)(C)C3CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -17.004
InChIKey:FHROXEHXBZAQNU-UHFFFAOYSA-N
ID: 86209
SMILES:Oc1c(C(CC(C)C)=O)c(CCCCC)cc2c1C1=C(C(C)(C)O2)CC(C(C)(O)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.729
InChIKey:WDHPIBBSZPETLX-UHFFFAOYSA-N
ID: 86210
SMILES:CC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 86211
SMILES:C12C3(C)C(C(Oc4c(O)c(O)c(C(OC)=O)c(CCCCC)c4)C1)C(=C)C(C)CC2O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -16.553
InChIKey:KAWXFYNBZSLXKL-UHFFFAOYSA-N
ID: 86212
SMILES:C(CCC)Cc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.195
InChIKey:VPBHUGWJPCPNEC-UHFFFAOYSA-N
ID: 86213
SMILES:C(CCCC)C(c1ccc2c(c1C(=O)O)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.411
InChIKey:XWNVLHWRAYCCOC-UHFFFAOYSA-N
ID: 86214
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(CC)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.959
InChIKey:GHRXODYGFBXBAN-UHFFFAOYSA-N
ID: 86215
SMILES:C1=C(C)CC(c3c(O)cc(C)cc3OC)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.015
InChIKey:CFYXNNNCIPHXLL-UHFFFAOYSA-N
ID: 86216
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(O)(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 86217
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 86218
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)=C)CC(=O)C(C)(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.39
InChIKey:DCHIIYUVFAENSQ-UHFFFAOYSA-N
ID: 86219
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 86220
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C(C)CC)c(O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.362
InChIKey:QJSFMXBPMNAJNQ-UHFFFAOYSA-N
ID: 86221
SMILES:C1C2(C)C(C(C)(C)CC1)CC(C)Oc1c2cc(O)c(C(=O)c2c(O)cc(CCCCC)cc2O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -16.506
InChIKey:VNWKCUJFGWXTLG-UHFFFAOYSA-N
ID: 86222
SMILES:C(=O)(C)Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -17.994
InChIKey:LCXOAMRAVSWHBP-UHFFFAOYSA-N
ID: 86223
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C)(C(=C)C1(C)O)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.456
InChIKey:DJNBXALZRBPCAN-UHFFFAOYSA-N
ID: 86224
SMILES:C(=C(C)C)CCC(=CCOc1cc(CCCCC)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.28
InChIKey:UHNGDHVOGKMKHT-UHFFFAOYSA-N
ID: 86225
SMILES:N(C)(c1c(O)c(CCC(CCC=C(C)C)C)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)CCF
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.689
CB1 binding score: -14.705
InChIKey:VMHXLBJQNVXPSW-UHFFFAOYSA-N
ID: 86226
SMILES:C12(O)C(C)c3c4c(c(CCCCC)cc3O)OC(C)(CCC1C(C)(C)O2)CC4CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.037
InChIKey:HCIKGHYIJMQPJI-UHFFFAOYSA-N