ID: 92590
SMILES:CCC(=O)C1C(O)=C(C(CC)C)C(=O)c2cc3c(cc21)OC(C)(C)C1CCC(O)(C)C(O)C31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.636
InChIKey:BAOWVPGWYNKHGI-UHFFFAOYSA-N
ID: 92591
SMILES:C(O)(C1CCCC(CO)(O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -13.768
InChIKey:CPKZFMIIGXODLJ-UHFFFAOYSA-N
ID: 92592
SMILES:C1(Oc2ccc(O)cc2CCCCC)CC(C(=C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.12
InChIKey:CCYPDKGMQWLCSS-UHFFFAOYSA-N
ID: 92593
SMILES:CC(=CCCC(C1=Cc2c(cc(CCCCC)cc2O)CC1C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -15.947
InChIKey:NQQVLULCFRRDGT-UHFFFAOYSA-N
ID: 92594
SMILES:C1c2c(O)cc(CCCCC)c(Cl)c2OC(C(O)(C)C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.837
CB1 binding score: Not available
InChIKey:YNRKHPHZTXTAFQ-UHFFFAOYSA-N
ID: 92595
SMILES:C(CCC)Cc1cc(O)c2c3c1C(=O)OC3(OC)C(C)=CCCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.047
InChIKey:MEUCEQGHWXXSKS-UHFFFAOYSA-N
ID: 92596
SMILES:c1c(CCCCCC)cc2c(c1O)OC(C)(C)C1=C2C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -14.077
InChIKey:HXDSIXTWCCVOKC-UHFFFAOYSA-N
ID: 92597
SMILES:C1C(C)(C)CCCC2(C)C1C(O)c1c(cc(CC(C)CCCCC(C)C)cc1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.647
CB1 binding score: -15.369
InChIKey:CQCIKSVYPWSMBO-UHFFFAOYSA-N
ID: 92598
SMILES:C1=C(C)CC2P(=O)(O1)OC21c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.324
CB1 binding score: -13.758
InChIKey:QIVKRMIWNFMWNN-UHFFFAOYSA-N
ID: 92599
SMILES:c1(C)c(C(=O)C(C(CC)C)C)oc2c(O)c3c(c4c(cc3OC)OC13CC(O)C(C)(C)O3)OC(C)(C)C(Br)CCC42O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 651.591
CB1 binding score: -18.092
InChIKey:CEAVBGJEYPGABB-UHFFFAOYSA-N
ID: 92600
SMILES:C12C(C)(CC(=C(C)C)C1=O)Oc1c(c(OC)cc(CCCCCC)c1)C2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -12.653
InChIKey:WAWJPDUNNGKVAR-UHFFFAOYSA-N
ID: 92601
SMILES:c1(O)c(C(C(C)CC)=O)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.81
InChIKey:LEYIJECALYWSRL-UHFFFAOYSA-N
ID: 92602
SMILES:C(CC=C(C)C)C(C)=CCOc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.511
InChIKey:CBXMLZRKUHXPGC-UHFFFAOYSA-N
ID: 92603
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(OC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.649
InChIKey:VSGJSVCYNDIDNH-UHFFFAOYSA-N
ID: 92604
SMILES:C(CCC)Cc1cc(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -18.325
InChIKey:RVMHTORVNNTJSC-UHFFFAOYSA-N
ID: 92605
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(CCC=C(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.852
InChIKey:SFUFRHMPPGZMCA-UHFFFAOYSA-N
ID: 92606
SMILES:C(CCCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 92607
SMILES:C12(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C3CCC(C)C4CCC(C)C1C3(C(O)C2)OO4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.693
CB1 binding score: -15.813
InChIKey:IEZJEZRUUPFZME-UHFFFAOYSA-N
ID: 92608
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.76
InChIKey:RZGRMTLQDQEDRG-UHFFFAOYSA-N
ID: 92609
SMILES:CC1(C)C=Cc2c(cc(CCC)c(C)c2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -15.388
InChIKey:WMJCEAJZFKVFKL-UHFFFAOYSA-N
ID: 92610
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N