ID: 41854
SMILES:c1(O)cc(CCCC)c(O)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.334
InChIKey:QMTZXTRHOXTJHY-UHFFFAOYSA-N
ID: 41855
SMILES:C1=CC(=O)C2=C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -13.072
InChIKey:UEFWNZUWGVDEDJ-UHFFFAOYSA-N
ID: 41856
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 41857
SMILES:CC1(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 41858
SMILES:c12cc(CCCCC)cc(OC(=O)CCCCCCCC)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -14.518
InChIKey:PXVRIRCGQUEYMQ-UHFFFAOYSA-N
ID: 41859
SMILES:O1c2c(c(O)c(C)c(O)c2)C2C(CCC(C)=C2)C1(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.67
InChIKey:FYCHPZKIHYWPIX-UHFFFAOYSA-N
ID: 41860
SMILES:c1c(CCCCC)cc2c(c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.894
InChIKey:RQOQOWJGKVZNGE-UHFFFAOYSA-N
ID: 41861
SMILES:C1C(C)CC=C(C(C)=C)C1c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.243
InChIKey:UJJQPDMYVIEYBU-UHFFFAOYSA-N
ID: 41862
SMILES:C1CC(C)(CCC=C(C)C)Oc2c(C(O)=O)c(O)cc(CCCCC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.813
InChIKey:MLURULANQSYMDM-UHFFFAOYSA-N
ID: 41863
SMILES:S(=O)(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.53
CB1 binding score: -15.037
InChIKey:ODACTOKIWIRHGD-UHFFFAOYSA-N
ID: 41864
SMILES:O=C(Oc1cc(CCCCC)ccc1C12OC(C)(C)C(C1)CC2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.552
InChIKey:HJTWYJYUIMEIID-UHFFFAOYSA-N
ID: 41865
SMILES:C1(CCC(C)=CCc2c(O)cc(CCCCC)cc2O)=C(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.04
InChIKey:ZAMQPOYXZNECJB-UHFFFAOYSA-N
ID: 41866
SMILES:C(CCCc1cc2c(c(O)c1CO)CC1CC(C)(OC=C1C)O2)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -12.655
InChIKey:ZOFGMHMNAKUAJM-UHFFFAOYSA-N
ID: 41867
SMILES:c12c(c(Cl)c(CCCCC)cc1O)OC(C)(C)C1C2CC(C)([N+]#[C-])CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 375.94
CB1 binding score: -15.542
InChIKey:FKAYVMIISGWDFH-UHFFFAOYSA-N
ID: 41868
SMILES:OC1C2(C(C)(C)Oc3cc(CCCCC)cc(O)c3C2=O)C=CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.868
InChIKey:ZMZBCADFFPETKD-UHFFFAOYSA-N
ID: 41869
SMILES:C(C)(C)C1=C2C(C)(CC3c4c(c5c(c(C)c4O)C(=O)C(C)(C)OO5)OC(C)(C)C3C2)CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.134
InChIKey:ULFZVNNYUYSRLX-UHFFFAOYSA-N
ID: 41870
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 41871
SMILES:COc1c(O)c(C)cc2c1C1C(C(C)(C)O2)CCC(COC2C(O)C(O)C(O)C(CO)O2)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.553
CB1 binding score: -15.717
InChIKey:RSGXHKDZTLJDLD-UHFFFAOYSA-N
ID: 41872
SMILES:C(C)CCc1ccc2c(c1O)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.063
InChIKey:BCJZMSRVELPNJV-UHFFFAOYSA-N
ID: 41873
SMILES:C(CCCCC)c1cc(O)c2c(c1)OC1(C)C3CC4(C(CC=C(C)CCC=C(C)C)(CC14)C3=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -15.467
InChIKey:QOCMJKGZACCCRD-UHFFFAOYSA-N
ID: 41874
SMILES:c1(C)cc(O)c2c(c1)CC(c1ccc3c(c1)OC(C)(C)C1C3C=C(C)CC1)OC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.523
CB1 binding score: -13.077
InChIKey:MVFVNZZFXGSHRZ-UHFFFAOYSA-N