ID: 84736
SMILES:O=C(c1c(O)c2c(cc1CCCCCC)OC(C)(C)C1C2C(O)CC(C)=C1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.352
InChIKey:SAEVEZJJXPJHME-UHFFFAOYSA-N
ID: 84737
SMILES:C12C(CC(O)=C1C(OC)=O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.33
InChIKey:SPECTABNMBAIEA-UHFFFAOYSA-N
ID: 84738
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)OC(C)(C=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.288
InChIKey:FLENONSSPWMODH-UHFFFAOYSA-N
ID: 84739
SMILES:C1=C(C)COc2cc(CCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -16.219
InChIKey:HAKFVXJNODMBLO-UHFFFAOYSA-N
ID: 84740
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 84741
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 84742
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 84743
SMILES:O(C)c1c(CCOC(C)=O)c(CCCCC)cc2c1C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.658
InChIKey:KODZBKOCFRUWNW-UHFFFAOYSA-N
ID: 84744
SMILES:C(CC1(CCCC(Oc2ccccc2)CNC(c2ccc(SC)cc2)C(CC)O)oc2c1c1c(c(OC)c2)CC2C(C)(O1)CCC2C(C)=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 701.97
CB1 binding score: -13.183
InChIKey:IDDDJYWDFKQWPB-UHFFFAOYSA-N
ID: 84745
SMILES:O=C1C2(CBr)OCC3(C(CC4C3c3c(cc(CCCCC)c(Cl)c3O)OC4(C)C)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 525.911
CB1 binding score: -15.908
InChIKey:MUEGLIFMKBMGTH-UHFFFAOYSA-N
ID: 84746
SMILES:C1c2c(cc(CC)cc2O)C(C(O)(C)C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -14.085
InChIKey:HLMTWPKIVAKFKY-UHFFFAOYSA-N
ID: 84747
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1-c1c(O)cccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -14.999
InChIKey:ZKBJLUCDBBWSLF-UHFFFAOYSA-N
ID: 84748
SMILES:CC(C12C3OC(=O)C(=CC1c1c(cc(CCCCC)cc1O)O2)C(C)C3)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.857
InChIKey:CWCUBLVEQKRVSV-UHFFFAOYSA-N
ID: 84749
SMILES:C(CCCCCCCCC)CC1=C2OC(C)(C)C3CCC(O)(C1)C23O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.543
CB1 binding score: -12.489
InChIKey:BVHNQCNRTDRRGD-UHFFFAOYSA-N
ID: 84750
SMILES:C(C)CCCCCCCCCCCc1cc(OC)cc2c1C1C(CCC(C)=CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.739
CB1 binding score: -15.435
InChIKey:OSLQNWJZJXJSRQ-UHFFFAOYSA-N
ID: 84751
SMILES:C1C(C(O)=O)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 84752
SMILES:O(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(COC(=O)C)CC1)C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -15.963
InChIKey:KAQUOVQSYVZNMS-UHFFFAOYSA-N
ID: 84753
SMILES:CC(C)=C1CCC(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.279
InChIKey:CIQPGJAVCVDLOB-UHFFFAOYSA-N
ID: 84754
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 84755
SMILES:Cc1cc(O)c2c(c1C(CO)C)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.02
InChIKey:QRHCHNHSADXIQV-UHFFFAOYSA-N
ID: 84756
SMILES:c1(OCC)c(C2CC(C)=CC(c3c(OC)ccc(CC[N+](C)(O)C)c3)C2C(=C)C)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.643
CB1 binding score: -15.226
InChIKey:VTCBXIZJAOLOLO-UHFFFAOYSA-N