ID: 109999
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C=O)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.03
InChIKey:FACMLRVKFGVIBJ-UHFFFAOYSA-N
ID: 110000
SMILES:O1c2c(cc(C)cc2O)C2C=C(C)CCC2C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.913
InChIKey:USHZBDBBZHEKPJ-UHFFFAOYSA-N
ID: 110001
SMILES:Cc1c(O)c2c(cc1OC)C1(O)C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.45
InChIKey:WTBUTBIBKIAVOF-UHFFFAOYSA-N
ID: 110002
SMILES:C(Oc1c(OC(=O)C)c2c(c(O)c1)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -16.015
InChIKey:ZQTGXHPXFHCUDC-UHFFFAOYSA-N
ID: 110003
SMILES:C1(C)C(O)C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -18.58
InChIKey:QSWUPWBGGAGFKI-UHFFFAOYSA-N
ID: 110004
SMILES:c1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 110005
SMILES:c1(O)c2c(cc(CCCCC)c1)c1c(c(OC(=O)C)c2)OC(C)(C)C2C1C(C(C)=C)C(C=C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -15.379
InChIKey:WMFDVHKNVUFSPO-UHFFFAOYSA-N
ID: 110006
SMILES:c1c(CCCCC)cc2c(c1)OC(C)(C)C1=C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.646
InChIKey:YNTVEWTVMYFTCO-UHFFFAOYSA-N
ID: 110007
SMILES:O1c2cc(C)cc(O)c2C2(O)C(C(=O)CC2C)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 276.332
CB1 binding score: -14.345
InChIKey:JDMDMGDSLFKEAO-UHFFFAOYSA-N
ID: 110008
SMILES:C1(C(=O)OC)=CC=CCC(CCC=C(C)CC2c3c(O)cc(C)cc3O2)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.874
InChIKey:LUDAVSGIWHJMIQ-UHFFFAOYSA-N
ID: 110009
SMILES:O=C(c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1C)CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.383
InChIKey:KRTMKQSIYFOPNN-UHFFFAOYSA-N
ID: 110010
SMILES:O=C(Oc1cc2c(c(OC)c1)C1C(=CC(C)=CCC1)C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.553
InChIKey:CZJLBHMORFCJRQ-UHFFFAOYSA-N
ID: 110011
SMILES:O=C1c2ccc(CCCCC)cc2OC(C)(C)C1c1cc(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -13.156
InChIKey:PUJJWHZTCJEWOK-UHFFFAOYSA-N
ID: 110012
SMILES:O=C1c2c(O)c(C(O)=O)c(CCCCC)cc2OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.179
InChIKey:CMDCZXVERLPHLH-UHFFFAOYSA-N
ID: 110013
SMILES:C(CO)Cc1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.438
InChIKey:NJTLCEUROBMQLK-UHFFFAOYSA-N
ID: 110014
SMILES:C1(C)=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 110015
SMILES:C(=C(C)C)CCC(C)=CCOc1cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.28
InChIKey:UHNGDHVOGKMKHT-UHFFFAOYSA-N
ID: 110016
SMILES:O1C2=C(O)C3(O)C(C1=O)C(C)CCC3C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -16.015
InChIKey:KZPFAXZYZJYWHQ-UHFFFAOYSA-N
ID: 110017
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C(CC(C)=C)C2C=C(C)C(O)C12C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.782
CB1 binding score: -15.929
InChIKey:YSPBDXZWBSSBHL-UHFFFAOYSA-N
ID: 110018
SMILES:C(CCCc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 110019
SMILES:C1(CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC(=C)CC=CC(C)(OO)C)C(=O)OC2C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.686
CB1 binding score: -18.304
InChIKey:MFRKKGYBDGVBIH-UHFFFAOYSA-N