ID: 86773
SMILES:C(CCc1cc(OC(=O)C)c(C(OC)=O)c(O)c1)C=C(CC(O)C=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -14.593
InChIKey:VWFLGURUMHBTSA-UHFFFAOYSA-N
ID: 86774
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 86775
SMILES:C(CCCC)c1cc(O)c2c(c1O)C1C(C(C)=C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.886
InChIKey:CFAFBWICZKXSCJ-UHFFFAOYSA-N
ID: 86776
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(O)(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 86777
SMILES:CC(C=CCC1CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.929
InChIKey:ZUHIIRHSYNUBDX-UHFFFAOYSA-N
ID: 86778
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 86779
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(C)c(OC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.805
InChIKey:FPNAYBZLIGJJAV-UHFFFAOYSA-N
ID: 86780
SMILES:c1(O)cc(CCCC)c(O)c2c1C1CC(C)(O2)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.069
InChIKey:YXBIZGGZROIHHM-UHFFFAOYSA-N
ID: 86781
SMILES:C(CC)CCc1c(-c2cc3c(c(=O)o2)cccc3)c(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.597
CB1 binding score: -15.209
InChIKey:MAHBKVDSRWDQFV-UHFFFAOYSA-N
ID: 86782
SMILES:C(Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(=O)C)c1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.174
InChIKey:HCGIBBYWOLZJIW-UHFFFAOYSA-N
ID: 86783
SMILES:C(CCc1cc2c3c(c1)OC(C)(C)C1CC=C(C)C(C1)C3C(=O)O2)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.546
InChIKey:XDUOBIZEPJMXSD-UHFFFAOYSA-N
ID: 86784
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 86785
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -16.654
InChIKey:PETDWUWSLGKBMP-UHFFFAOYSA-N
ID: 86786
SMILES:c1c(CCCO)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.334
InChIKey:BAFZVHHAFWQFRH-UHFFFAOYSA-N
ID: 86787
SMILES:C1(C)(C)C2C(c3c(O)cc(CCCCC)cc31)OC(CCC=C(C)C)(C)C1CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.605
InChIKey:DIJMOBMHDFXIDE-UHFFFAOYSA-N
ID: 86788
SMILES:C(CCC(=O)O)c1cc(CCCCCC)cc(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 264.365
CB1 binding score: -13.76
InChIKey:QHZBHLYBYMHYJF-UHFFFAOYSA-N
ID: 86789
SMILES:c1(C(OC(C)=O)=O)cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.519
InChIKey:RNVCCXBGCONZFT-UHFFFAOYSA-N
ID: 86790
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 86791
SMILES:C1(C(=C)C)C(OC(=O)C)CC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.095
InChIKey:VDSQTXGYSIWHCJ-UHFFFAOYSA-N
ID: 86792
SMILES:C1C2(C)CCC3C(C)(C)Oc4c(c(OC)cc(CCC)c42)C3C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: Not available
InChIKey:PGENAUYYMUVHDO-UHFFFAOYSA-N
ID: 86793
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N