ID: 140596
SMILES:O=C1C2C(C(C)(C)O2)C2C(C(C)=C1)C1OC2C2(C)OC1C(CC(C)=CC(c1c(O)cc(CCCCC)cc1OC(C)=O)=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 634.81
CB1 binding score: -12.769
InChIKey:PSIUDOVACVNRCQ-UHFFFAOYSA-N
ID: 140597
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 140598
SMILES:C1CC(C=O)=CC2C1(C)Oc1c(c(O)cc(CCCCC)c1)C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.358
InChIKey:MIPSKFYGMUARSN-UHFFFAOYSA-N
ID: 140599
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(=O)C1C(C)CCC2C1(C)CCCC(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -12.89
InChIKey:VJAUNEUSKLGEGY-UHFFFAOYSA-N
ID: 140600
SMILES:Oc1cc(CC=C(C)C)c(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.948
InChIKey:OFPSTJFCCUOHFQ-UHFFFAOYSA-N
ID: 140601
SMILES:c1(O)c(C2C(C(=C)C)CCC(O)(C)C2O)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -18.57
InChIKey:ZCWXVUPDFIMABQ-UHFFFAOYSA-N
ID: 140602
SMILES:C12C(C)(CCC1C(O)(C)C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.334
InChIKey:LTJOTHGPJVLRQN-UHFFFAOYSA-N
ID: 140603
SMILES:C(CC1(C)Oc2c(C)cc(O)cc2C=C1)C(=O)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.469
InChIKey:UMHVCHMYJRAETF-UHFFFAOYSA-N
ID: 140604
SMILES:O1c2cc(CCCCC)cc(O)c2CC1C(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -15.886
InChIKey:OXKDIXGKBVCFAK-UHFFFAOYSA-N
ID: 140605
SMILES:CC(CC1Oc2cc(CCCCC)cc(O)c2C1(C)CCC=C(C)C)=CC(CC(=CCc1cc(O)cc(C)c1OC)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.829
CB1 binding score: -11.281
InChIKey:YVNGELIKNKRHCZ-UHFFFAOYSA-N
ID: 140606
SMILES:N(CC(O)=O)c1c(C(=O)OC)c(CCCCC)cc2c1C1C=C(C)CCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 413.558
CB1 binding score: -14.924
InChIKey:MCCSFLDCVVGTJF-UHFFFAOYSA-N
ID: 140607
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=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: 140608
SMILES:CC1c2c(O)cc(CCCCC)cc2OC(C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.293
InChIKey:YWWNXERPZHMYBW-UHFFFAOYSA-N
ID: 140609
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.045
InChIKey:KSTHDIZKOSHAQF-UHFFFAOYSA-N
ID: 140610
SMILES:C12(C(C)C)CCC(C)=CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.928
InChIKey:SMTJUGXKTVNGCI-UHFFFAOYSA-N
ID: 140611
SMILES:C(c1c(O)cc(CCCCC)cc1OC(C)(C)C)(CCC)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.517
CB1 binding score: -10.913
InChIKey:VIQYHXAHCLGQMF-UHFFFAOYSA-N
ID: 140612
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 140613
SMILES:C(c1cc2c(cc1O)OC1(C)CCC(C(C)(C)OC)C1C2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -13.341
InChIKey:WPESHTRYDJRSFR-UHFFFAOYSA-N
ID: 140614
SMILES:C1(c2c(O)c(OC)cc(CCCCC)c2)C(=O)C(C(C)C)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.882
InChIKey:KXBLAHGBYZLWOA-UHFFFAOYSA-N
ID: 140615
SMILES:C(c1cc(C2C(C)=CCCC2(C)C)c(O)cc1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.259
InChIKey:MSUMFAMGEWHIFC-UHFFFAOYSA-N
ID: 140616
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C21)CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.046
InChIKey:VMVKBKNJHXPRRL-UHFFFAOYSA-N