ID: 53929
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 53930
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C3CC4C(C)(CCC=C(C)CC2)C3C41
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -16.413
InChIKey:NYZALMSEKXIBEY-UHFFFAOYSA-N
ID: 53931
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 53932
SMILES:CC1(C)CC(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.748
InChIKey:VZCNVMVFIRXRPA-UHFFFAOYSA-N
ID: 53933
SMILES:O1C2(C)C1C1c3c(cc(CCCCC)cc3O1)OC(C=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -11.638
InChIKey:BIQVGDNFUYTJIP-UHFFFAOYSA-N
ID: 53934
SMILES:c1(C2=CC(C)(C)C(C=CC(C(OC)=O)C)C2)c(O)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.14
InChIKey:XUVREMCWMQVMTP-UHFFFAOYSA-N
ID: 53935
SMILES:COc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.58
InChIKey:MQYNIKFMRRHYGZ-UHFFFAOYSA-N
ID: 53936
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)C(O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.612
InChIKey:JDHAZUJFHOVGEI-UHFFFAOYSA-N
ID: 53937
SMILES:O=C(C=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C(=O)O)C1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.363
CB1 binding score: -16.774
InChIKey:BIUNKNBIGMKRGY-UHFFFAOYSA-N
ID: 53938
SMILES:C(CCC(=CCc1c(O)cc(CCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 53939
SMILES:C1C(CO)CC2C(C)(C)Oc3c2c(O)cc(C)c31
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: Not available
InChIKey:AJPIVPPCPUTJMR-UHFFFAOYSA-N
ID: 53940
SMILES:C=C(C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.334
InChIKey:ZVZVTQYYPZYHBU-UHFFFAOYSA-N
ID: 53941
SMILES:O=C1OC2CC3(c4c(cc(CCCCC)cc4O)OC3(C)C)C(O)C3=C2C1C(C)CCC1C(C)C(=O)OC31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -17.903
InChIKey:UJUOJEFBXWGVSR-UHFFFAOYSA-N
ID: 53942
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(O)(C2CC(C)(C)OC(C(O)(C)C)CC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.682
CB1 binding score: -14.837
InChIKey:WBLJCEKIUBNIAF-UHFFFAOYSA-N
ID: 53943
SMILES:C(O)C1=C(c2cc(CCCCC)cc(O)c2)CC(CCc2ccccc2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -15.61
InChIKey:ZWCLVLMFVVGMFN-UHFFFAOYSA-N
ID: 53944
SMILES:CNCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -17.538
InChIKey:OOXPUPGAYGGCGA-UHFFFAOYSA-N
ID: 53945
SMILES:C1(C(CO)(O)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.93
InChIKey:DWPBXSWWSVISAF-UHFFFAOYSA-N
ID: 53946
SMILES:c1(C(CC=C(C)C)O)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -16.502
InChIKey:KBAMHYSORAXNPV-UHFFFAOYSA-N
ID: 53947
SMILES:C(CCCCCOC1CC(C)CCC1C(C)C)C(C)CCC(c1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.937
CB1 binding score: -14.388
InChIKey:ZUYKKFFGRDSABO-UHFFFAOYSA-N
ID: 53948
SMILES:c1(C)c(O)c(CCCCC)c2c(c1O)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.596
InChIKey:ZYPBTLAUBCPASM-UHFFFAOYSA-N
ID: 53949
SMILES:C(C(CCCCC)C)(C)c1c2c(cc(O)c1C=O)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.656
InChIKey:DTPOVGDCEMYVPD-UHFFFAOYSA-N