ID: 91897
SMILES:Oc1c(C(CC(CC)C)c2c(O)c(C(=O)C(CC)C)c3c(c2)C2C=C(C)CCC2C(C)(C)O3)cc(OC)c2ccc(=O)c3c(o3)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 626.79
CB1 binding score: -12.805
InChIKey:PQHXNFOOBSLRRW-UHFFFAOYSA-N
ID: 91898
SMILES:CC(=O)OCC1CCC2C1c1c(cc(O)cc1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.893
InChIKey:DMRBRXIHDNTTDN-UHFFFAOYSA-N
ID: 91899
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(CO)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.346
InChIKey:POPBLMRNLSTLOC-UHFFFAOYSA-N
ID: 91900
SMILES:C1(COC2C(O)C(OC)C(O)C(CO)O2)=Cc2c(cc(CCCCC)cc2O)OC1CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.516
CB1 binding score: -17.55
InChIKey:QRTXJYPKIRHXFN-UHFFFAOYSA-N
ID: 91901
SMILES:C1C2C(CCC(O)(C)C2)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.502
InChIKey:PQWXNEQVBJHQSL-UHFFFAOYSA-N
ID: 91902
SMILES:C12=CC(C)CC=C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.379
InChIKey:ZIYSKLOECNKEGG-UHFFFAOYSA-N
ID: 91903
SMILES:c1(O)c2c(cc(CCCC)c1)OC(C)(C)CC2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.708
InChIKey:AAEZWJJMQHTABM-UHFFFAOYSA-N
ID: 91904
SMILES:CC1(C)CC(O)CC2(C)Oc3c(c(O)c(C(=O)O)c(CCC)c3)C(CCC(OC(C)=O)(C)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -15.977
InChIKey:UZFXUPPFHKRPDE-UHFFFAOYSA-N
ID: 91905
SMILES:c1(CC=C)cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.334
InChIKey:JNCUHOWFGFVOPI-UHFFFAOYSA-N
ID: 91906
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 91907
SMILES:C1C(C(O)CC=C(C)C)(C)C2C(C)(C1)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.625
InChIKey:JTVYNLAAUQRLOT-UHFFFAOYSA-N
ID: 91908
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C(=O)COC(=O)C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -12.869
InChIKey:DJRYYZQUPGQWST-UHFFFAOYSA-N
ID: 91909
SMILES:C1CC(C)=CC2OCC(=C)C2c2c(cc(CCCCC)cc2O)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -15.609
InChIKey:WPMNLLKOXZGUJJ-UHFFFAOYSA-N
ID: 91910
SMILES:c1c2c(cc(CCCCC)c1-c1c3c(cc(O)c1)C=CC(CCC=C(C(CC=C(C)C)O)C)(C)O3)CC1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 638.933
CB1 binding score: -14.449
InChIKey:GGPHMSZOHLPBEH-UHFFFAOYSA-N
ID: 91911
SMILES:CC(=CCCC(=C)C)CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 316.485
CB1 binding score: -14.324
InChIKey:XEVMZWNMRBJXCN-UHFFFAOYSA-N
ID: 91912
SMILES:C1(=O)C2(c3c(c(O)cc(CCCCC)c3)O1)C1C(CC(C)(C)O1)CC(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.929
InChIKey:UUOCBOQNPZDONS-UHFFFAOYSA-N
ID: 91913
SMILES:c1(C)ccc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -17.589
InChIKey:ILPMEUDSBVWXIW-UHFFFAOYSA-N
ID: 91914
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C(C)(O1)CCC2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.674
InChIKey:FLARFTZZQSHMMG-UHFFFAOYSA-N
ID: 91915
SMILES:Cc1c(CCCCC)cc2c(c1O)C1C=C(COC(=O)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.697
InChIKey:JRPCHFRQOUCGLI-UHFFFAOYSA-N
ID: 91916
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C1C=C(C)C(=O)C(O)C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.165
InChIKey:JHNBFBBFVHEJDT-UHFFFAOYSA-N
ID: 91917
SMILES:C(c1cc2c(c(O)c1)C=CC(C)(CCC=C(C)CCC=C(C)C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -18.065
InChIKey:IZPWGSSARHBNLC-UHFFFAOYSA-N