ID: 36016
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36017
SMILES:C(CC=C(C)C)C(c1c(O)cc(CCCCC)cc1O)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -16.944
InChIKey:IVZRMOLSYRTLLL-UHFFFAOYSA-N
ID: 36018
SMILES:C1C(C)=CC(c2c(CCCCC)cc(CCCOC)cc2)C(C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -15.648
InChIKey:SRPGYNALLUHJFL-UHFFFAOYSA-N
ID: 36019
SMILES:COc1c2c(c(OC)c(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.923
InChIKey:QWOKRQARUFAVQS-UHFFFAOYSA-N
ID: 36020
SMILES:CC1(C)Oc2c(ccc(CCCCC)c2O)C2C(=C)CCC3C(C)(O)CCC3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.993
InChIKey:LCWOFJKIGGZKNI-UHFFFAOYSA-N
ID: 36021
SMILES:C12CC=C(CO)CC1C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -15.756
InChIKey:JTIFMZMOIKWEAT-UHFFFAOYSA-N
ID: 36022
SMILES:c1c(N)c(NCC=C(CO)C)c2cc(O)c(C3C=C(C)CCC3C(C)=C)cc2c1C(=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.634
CB1 binding score: -15.526
InChIKey:ZSPFGGGVWYLXII-UHFFFAOYSA-N
ID: 36023
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36024
SMILES:c1(O)cc(CCCCC)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.63
InChIKey:LAYHJCJKKWVWTP-UHFFFAOYSA-N
ID: 36025
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 36026
SMILES:C1C(Br)C(C)(C)C2C(C)(C1)Oc1c(c(O)cc(CC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.3
CB1 binding score: -16.617
InChIKey:WONJVGZCNZWFMI-UHFFFAOYSA-N
ID: 36027
SMILES:C(C(C=O)=CCc1c(O)c(C)cc(OC(=O)C)c1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.787
InChIKey:WUNUZMCEBDDKRC-UHFFFAOYSA-N
ID: 36028
SMILES:C(CC(OC1C(C)=CC2C(C1)C(C)(C)Oc1c2c(OC)cc2c1C(=O)OC2)=O)(CCCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -15.041
InChIKey:IMXMPFSKFHOKEN-UHFFFAOYSA-N
ID: 36029
SMILES:C1(=O)C2(CS(NCC#C)(=O)=O)c3c(cc(CCC)cc3O)OC23C2C(C(C)=CC(C2)CC3C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 485.602
CB1 binding score: -15.429
InChIKey:OKYRFYANSLJQAI-UHFFFAOYSA-N
ID: 36030
SMILES:C1(O)C(O)C(Oc2c(O)c3c(cc2O)OC(C)(C)C2CCC(C)=CC23)OC(CO)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.473
CB1 binding score: -16.162
InChIKey:OYRQLRWQPLGXNF-UHFFFAOYSA-N
ID: 36031
SMILES:CC1(C)C2C(c3cc(C(O)=O)c(C)cc3O1)C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -10.474
InChIKey:CEUZINKFDKAVCA-UHFFFAOYSA-N
ID: 36032
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.464
InChIKey:YYEASCCNBITMDU-UHFFFAOYSA-N
ID: 36033
SMILES:C1CC(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 36034
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 36035
SMILES:Cc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.745
InChIKey:UWGQXUWWBMILSQ-UHFFFAOYSA-N
ID: 36036
SMILES:C1C2C(C1(C)CCC=C(C)C)c1cc(C(O)CCCC)ccc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.208
InChIKey:ZQOJTUUDADAYBU-UHFFFAOYSA-N