ID: 36688
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 36689
SMILES:C1(C)=CC(c2c(O)c(Cl)c(C)cc2O)C(C(CCC=C(C)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.941
CB1 binding score: -17.672
InChIKey:YBABWIIDSFONCK-UHFFFAOYSA-N
ID: 36690
SMILES:C(C=C(C)CCC=C(C)C)c1c(O)cc(CCCCCO)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.776
InChIKey:WPDKRAAOOWNUMO-UHFFFAOYSA-N
ID: 36691
SMILES:c1(CCO)c(C(O)=O)c(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.126
InChIKey:VBHLATODEWIKMK-UHFFFAOYSA-N
ID: 36692
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(O)(C=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.509
InChIKey:MDFXVJRJRZYPJL-UHFFFAOYSA-N
ID: 36693
SMILES:OC(c1ccc(O)c2c1-c1c(cc(CCCCC)cc1O)OC2(C)C)=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -13.638
InChIKey:GFVVTCHWQUQKTP-UHFFFAOYSA-N
ID: 36694
SMILES:Oc1c2c(cc(C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 36695
SMILES:C1(C(=O)O)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 36696
SMILES:Oc1c(C=O)c(CO)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -18.658
InChIKey:LTZXNONLGVSYMH-UHFFFAOYSA-N
ID: 36697
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 36698
SMILES:C12=C(c3c(cc(CCCCC)c(C(=O)OC)c3O)OC1(C)C)C(C(C)C)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 414.586
CB1 binding score: -16.213
InChIKey:JOIKKUQDCWATON-UHFFFAOYSA-N
ID: 36699
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(=C)C2)CCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.434
InChIKey:GEWDVCCFVOLURO-UHFFFAOYSA-N
ID: 36700
SMILES:C(c1c(CCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.303
InChIKey:TXZSBURMGFACOV-UHFFFAOYSA-N
ID: 36701
SMILES:CCCCCc1cc(O)c(C2C=C(C=O)CCC2C(C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.099
InChIKey:KBGMCAZXELYBGV-UHFFFAOYSA-N
ID: 36702
SMILES:C1(O)C2(C)C(C3(C(=O)CC2)OC3)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.646
InChIKey:GTOXXZYVXSAUPN-UHFFFAOYSA-N
ID: 36703
SMILES:C1Oc2cc(CCCCC)cc(O)c2C1(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -17.354
InChIKey:ALQPEKUWYPLHQT-UHFFFAOYSA-N
ID: 36704
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 36705
SMILES:c12cc3c(c(C=O)ccc3)cc1C(C)(C)Oc1c-2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.507
CB1 binding score: -14.804
InChIKey:HBPDMFPXAFNIPV-UHFFFAOYSA-N
ID: 36706
SMILES:CC1CCC(C(C)C)C(c2c(O)cc(O)cc2CCCCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -18.753
InChIKey:BHQDJFJOVJDCDO-UHFFFAOYSA-N
ID: 36707
SMILES:CC1=CC2C(C(CO)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.583
InChIKey:AFSGVVWOXYAPKB-UHFFFAOYSA-N
ID: 36708
SMILES:O(c1c(CCCCC)cc2c(c1O)C1C(C(O)(C)C)CCC(C)=C1CCC(C)(N=C(O)Cc1ccccc1)C)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 563.779
CB1 binding score: -16.015
InChIKey:UJQLIHAOBKADCX-UHFFFAOYSA-N