ID: 39691
SMILES:CC1CCC(=O)C(C)(C)Oc2c(c(O)cc(CCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -12.552
InChIKey:LVKTXVLUZWAKHU-UHFFFAOYSA-N
ID: 39692
SMILES:O(C)C(c1c2c(c(OC)cc1OC)C(=O)C1C=C(C)CCC1C(C)(C)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -18.765
InChIKey:UVWSJRFDHQWWPF-UHFFFAOYSA-N
ID: 39693
SMILES:C1CC(C(C)=C)CC(C2=CCC3C(C)(C)Oc4c5c(cc(O)c4C32)Oc2cc(CCCCC)cc(O)c2O5)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.732
CB1 binding score: -14.01
InChIKey:FKKQSHZEANHLMW-UHFFFAOYSA-N
ID: 39694
SMILES:O=C(C1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -18.209
InChIKey:RAWHNNKBKXBZJY-UHFFFAOYSA-N
ID: 39695
SMILES:C(C)(C)C(=O)c1c(O)c2c(cc1CCCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.902
InChIKey:CLFQQVALDLAIFM-UHFFFAOYSA-N
ID: 39696
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C2=C(C2=O)OC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.318
InChIKey:BSGRAAFFIFWWJZ-UHFFFAOYSA-N
ID: 39697
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: 39698
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 39699
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(=C)C3CC(O)C(C)=C3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: Not available
InChIKey:WDDZFLOXGHVFNP-UHFFFAOYSA-N
ID: 39700
SMILES:C(CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 39701
SMILES:Oc1cc(CCCCC)c(C(=O)C(CC)C)c(O)c1CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.788
InChIKey:MPGBLWRSQKANGD-UHFFFAOYSA-N
ID: 39702
SMILES:C(c1c(O)cc(CCCCC)cc1O)C(C(=C)C)CCC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.438
InChIKey:QHAPEQKGPROWNC-UHFFFAOYSA-N
ID: 39703
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(C)(O2)-1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -12.099
InChIKey:FFUGUGUGNHEJRB-UHFFFAOYSA-N
ID: 39704
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 39705
SMILES:Cc1c(O)c(O)c2c(c1C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 288.387
CB1 binding score: -17.029
InChIKey:GUPPWKKAQGTROR-UHFFFAOYSA-N
ID: 39706
SMILES:O=CC1C(C)(C)Oc2c1c(O)cc(CCCCCOC(=O)C=Cc1ccccc1)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.494
CB1 binding score: -13.623
InChIKey:DWBUERMQBCIQBE-UHFFFAOYSA-N
ID: 39707
SMILES:O=C1c2cc(OC)c(CCCCC)cc2OC(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merohemiterpenoids
MW: 292.375
CB1 binding score: -16.02
InChIKey:NFJJKGMEFCNACB-UHFFFAOYSA-N
ID: 39708
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.652
InChIKey:GFZBDSMMEKEACG-UHFFFAOYSA-N
ID: 39709
SMILES:C(=O)(C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 39710
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C(=O)C1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.564
InChIKey:GRJWFXWTUFKXEN-UHFFFAOYSA-N
ID: 39711
SMILES:O(C)c1c2c(c(C)c(CCC=CC)c1O)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.516
InChIKey:XNZGEISGAODYAG-UHFFFAOYSA-N