ID: 52900
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CCC(C)C2C=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.792
InChIKey:HKGBLFZNIIFMMR-UHFFFAOYSA-N
ID: 52901
SMILES:C1C(C)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.185
InChIKey:NPIUBFBDTHXOCO-UHFFFAOYSA-N
ID: 52902
SMILES:c12c(c(OC3C(O)C(O)C(O)C(CO)O3)cc(CCCCC)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -16.655
InChIKey:FIALLSBOEZLCDU-UHFFFAOYSA-N
ID: 52903
SMILES:C1(C)=CC(=O)OC12C1c3c(O)cc(CCCCC)cc3OC(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.894
InChIKey:ULQJLCSHLYSAPM-UHFFFAOYSA-N
ID: 52904
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1(O)C(O)CC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.754
InChIKey:FFXHOQVWBQGPTB-UHFFFAOYSA-N
ID: 52905
SMILES:CC1=CCC=C(C)C2C(CC1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -14.626
InChIKey:CAKOSNPHEVHWQD-UHFFFAOYSA-N
ID: 52906
SMILES:C(Cc1cc(O)c(O)c(C2C=C(C)CCC2C(=C)C)c1O)(CCCCCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.201
InChIKey:OSWQBCOXYHXRAV-UHFFFAOYSA-N
ID: 52907
SMILES:Oc1c(CCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.334
InChIKey:LIFIGNLFWIMGAU-UHFFFAOYSA-N
ID: 52908
SMILES:C(C=C(C)CCC1OC1(C)C)CC1(C)Oc2c(cc(O)cc2C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.553
InChIKey:ACVWHKVJGOVUKG-UHFFFAOYSA-N
ID: 52909
SMILES:CC(CC(c1c(O)c2c(cc1O)OC(C)(C)C1CC=C(C)CC12)CC(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.079
InChIKey:MGTDRPYNAGPBNK-UHFFFAOYSA-N
ID: 52910
SMILES:CC1=CC2C(CC1)C(C)(CO)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.796
InChIKey:RARKGHFYSJYWAF-UHFFFAOYSA-N
ID: 52911
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(C(O)(C)C2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.76
InChIKey:RZGRMTLQDQEDRG-UHFFFAOYSA-N
ID: 52912
SMILES:C1(c2c(O)cc(CCCCCO)cc2OC)C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.957
InChIKey:UJYIVYWDQFGCJM-UHFFFAOYSA-N
ID: 52913
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 52914
SMILES:O(c1c(CCCC)cc2c(c1O)C1(C)CCCC3(C)C(=O)OC(C=C(C)C)C31O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.67
InChIKey:WPRYJZQNNRMBIV-UHFFFAOYSA-N
ID: 52915
SMILES:C(C)(CC=C(C)C)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1CCc1c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.781
CB1 binding score: -17.27
InChIKey:FRKJJFQWHBXFAY-UHFFFAOYSA-N
ID: 52916
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 52917
SMILES:c12c(c(=O)c(C=O)c(O)c3c1OC(C)(C)C=C3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -15.849
InChIKey:WBEBHVUPVDULCW-UHFFFAOYSA-N
ID: 52918
SMILES:C1(C(C)C)C(c2c(O)cc(C(O)CCCC)cc2O)C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.858
InChIKey:GSMJIYZKGKVZOP-UHFFFAOYSA-N
ID: 52919
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.582
InChIKey:PDYKIGRVNVKGPA-UHFFFAOYSA-N
ID: 52920
SMILES:O=C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N