ID: 90994
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C3=c4c(cc(O)c5c41c2c(CC=C(C)C)c(C(C(CC)C)=O)c3O)OC(C)(C)C=C5
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.765
CB1 binding score: 1.58
InChIKey:WPQFAEUDKQCGRT-UHFFFAOYSA-N
ID: 90995
SMILES:CCCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 90996
SMILES:CC1(CCC=C(CCC=C(C)C)C)C2C(c3c(cc(CCCCC)c(C(=O)O)c3O)O2)C(O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -14.503
InChIKey:ZYSCRXCDTOHKMO-UHFFFAOYSA-N
ID: 90997
SMILES:C1CC(C(=O)O)=CC2C1C(C)(C)Oc1c2c(O)cc(O)c1C(C(C)=C)CC1OCC(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -15.966
InChIKey:HQLOLCQYGSBMRW-UHFFFAOYSA-N
ID: 90998
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 90999
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 91000
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C(C(C)(C)C(O)C2)C2C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.164
InChIKey:MBLXKGPHUSRVMB-UHFFFAOYSA-N
ID: 91001
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC23C(C)CCC1C3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.013
InChIKey:KINDVXKVVLFVOJ-UHFFFAOYSA-N
ID: 91002
SMILES:c1(C(C)CCC=C(C)C)cc(Cc2cc(O)c(C3C=C(C)CCC3C(=C)C)c(O)c2)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -15.526
InChIKey:JBXWIPCFXNKGHB-UHFFFAOYSA-N
ID: 91003
SMILES:c1(O)c(CCCCCO)cc(OC)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.064
InChIKey:GJCYQJMBGQDUDF-UHFFFAOYSA-N
ID: 91004
SMILES:C12CCC(C)CC1(O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.007
InChIKey:FXSXHYVMKQBBKA-UHFFFAOYSA-N
ID: 91005
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 91006
SMILES:c1(OC)cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.952
InChIKey:JTNITDVJYOHCNE-UHFFFAOYSA-N
ID: 91007
SMILES:C12C(C)(Oc3c(c(O)cc(CCCCC)c3)C1)CC1OC(C(O)(C)O1)CCC(C)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.116
InChIKey:WPNLZBFDJWLYRV-UHFFFAOYSA-N
ID: 91008
SMILES:c1(CCCCCC)cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.139
InChIKey:RBVWJFQYGQIJSG-UHFFFAOYSA-N
ID: 91009
SMILES:C12(c3c(O)cc(CCCC)cc3OC)OC3(CC1(C)C)OC(C)(C)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.36
InChIKey:KZVNGSSJHNVXNS-UHFFFAOYSA-N
ID: 91010
SMILES:C(c1c(O)cc(CCC)cc1O)=CC(O)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.682
InChIKey:CNZYSYQHEUYYIM-UHFFFAOYSA-N
ID: 91011
SMILES:O=Cc1c(O)c2c(cc1C(CCC=C(C)C)(C)C=C)OC(C)(C)C1CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -15.552
InChIKey:XNOJQJJDXXDTSG-UHFFFAOYSA-N
ID: 91012
SMILES:C(C)(=C(O)c1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.268
InChIKey:ZUKODWYEUNCGDA-UHFFFAOYSA-N
ID: 91013
SMILES:O1c2cc(C)c(Br)cc2C2[CH]C3(O)C4C(C)(C(OC(C)=O)CC2C1(C)C)CC1(OC(=O)CC1)C34O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.45
CB1 binding score: -14.041
InChIKey:IJUJCAHSLHOZIS-UHFFFAOYSA-N
ID: 91014
SMILES:C1C(=C)C2CC3C(C1)c1c(O)cc(CCCCCCC)cc1OC3(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -15.2
InChIKey:ZOMHPGXJALBBRM-UHFFFAOYSA-N