ID: 123838
SMILES:C(C)(=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 123839
SMILES:c1c(CC=C(CCCC(C)(O)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 318.501
CB1 binding score: -15.929
InChIKey:WRQWFYKHORXRKQ-UHFFFAOYSA-N
ID: 123840
SMILES:C1C(=O)C(C)=CC(c2cc(CCCCC)cc(O)c2OC(C)=O)C1(C(=C)C)CCC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -15.441
InChIKey:DLOWOPWCOOBLMS-UHFFFAOYSA-N
ID: 123841
SMILES:c1(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 123842
SMILES:C1(=O)CC2C(C)(C)Oc3c(c(O)c(C(=O)OC)c(C)c3)C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.341
CB1 binding score: -15.415
InChIKey:IRZZWWCFVIZIIY-UHFFFAOYSA-N
ID: 123843
SMILES:O=C1C(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.141
InChIKey:STNIUGDPECKSAQ-UHFFFAOYSA-N
ID: 123844
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C=C(C)CCC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.608
InChIKey:FQILBSHXYWCPAM-UHFFFAOYSA-N
ID: 123845
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC(O)C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 123846
SMILES:C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 123847
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.112
InChIKey:FQYMLYZDNNQIIN-UHFFFAOYSA-N
ID: 123848
SMILES:Oc1cc(CCCCC)cc2c1C1C=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: 123849
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123850
SMILES:Cc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -15.975
InChIKey:YPNJQXURJAYJIU-UHFFFAOYSA-N
ID: 123851
SMILES:CC1COc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -17.981
InChIKey:UWGQWWRWOAVBSG-UHFFFAOYSA-N
ID: 123852
SMILES:CC1=CC(c2ccc(C(=O)OC)cc2O)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.365
InChIKey:WIWAFAIVJYRCPO-UHFFFAOYSA-N
ID: 123853
SMILES:c1(C(C2(CC)C3C(C(C)C2C)C=CC(=C)C3)C)c(O)cc(CCc2cc(O)cc(C)c2)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -13.94
InChIKey:HVDZKPPTIGHBHY-UHFFFAOYSA-N
ID: 123854
SMILES:CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 123855
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC2(C)C(C=C(C)C)C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.463
InChIKey:YOMBPXDSHXVHRF-UHFFFAOYSA-N
ID: 123856
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:KKGGNLGHOSMNOH-UHFFFAOYSA-N
ID: 123857
SMILES:C(CC=C(C)C)C(C)=CCCC(=CCc1cc(O)cc(C)c1Oc1c(C)c2c(c(O)c1)C1C(C(C)C)CCC(C)=C1C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.869
CB1 binding score: -14.281
InChIKey:SBAUEODJZSCWIQ-UHFFFAOYSA-N
ID: 123858
SMILES:C(CCc1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.895
InChIKey:UOOUYWGPGXUAOH-UHFFFAOYSA-N