ID: 20854
SMILES:C1CC(C)=CC(c2c(O)cc(O)cc2CCCCC)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 20855
SMILES:O=C(C)Oc1c(O)c2c(cc1C(OC)=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -11.75
InChIKey:GLGMWNLWZDHYAZ-UHFFFAOYSA-N
ID: 20856
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 20857
SMILES:C1(C)CCC(C(=C)C)C1c1c(O)c(OC)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -11.212
InChIKey:JMIJPSMIJLAADX-UHFFFAOYSA-N
ID: 20858
SMILES:C1(c2c(O)cc(CCCCC)cc2)OC(=O)C(CCC=C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.365
InChIKey:TVLUJXRPTYGDHM-UHFFFAOYSA-N
ID: 20859
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(CO)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 20860
SMILES:C(CCCC)=C(C)c1cc(O)c(C2C=C(C)C(O)CC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.771
InChIKey:PETCTFLULYIYCC-UHFFFAOYSA-N
ID: 20861
SMILES:CC(=CCCC(CC(O)CC(C)=CCc1cc(O)cc(C)c1O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.033
InChIKey:YZFOPFXISIEBBH-UHFFFAOYSA-N
ID: 20862
SMILES:C1=C(C)CCC2Cc3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.356
InChIKey:ZWTBRHMTRLAFIM-UHFFFAOYSA-N
ID: 20863
SMILES:Oc1c(C)c(O)c2c(c1C(=O)C(C)C)C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.374
InChIKey:NIBQJCQKIQSEDL-UHFFFAOYSA-N
ID: 20864
SMILES:CC1(C)Oc2cc(CCC)c(C=O)c(O)c2C2C=C(C(C(C)C)CCC(C(=O)O)C)CCC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -16.421
InChIKey:YAPHZTPMAUKQGD-UHFFFAOYSA-N
ID: 20865
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 20866
SMILES:c1(CCCCC)cc2c(c(=O)o1)CC1C(C)(OC(C)(C)C1)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.94
InChIKey:UALWEWNDYMTLFE-UHFFFAOYSA-N
ID: 20867
SMILES:c1c(O)c2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.281
InChIKey:KZTIITBECKQIPO-UHFFFAOYSA-N
ID: 20868
SMILES:C1C(C)=CCCC(C)C=C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.094
InChIKey:CRXCSBUKISHFPC-UHFFFAOYSA-N
ID: 20869
SMILES:C1(Cl)C(=C)C2(OC)C=C(Br)C(C)(C)Oc3c(c(O)cc(CCCCC)c3O2)C(O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 555.937
CB1 binding score: -14.031
InChIKey:MNYUGRFBWZKSTJ-UHFFFAOYSA-N
ID: 20870
SMILES:c1(C)c(CCC(C)(C=Cc2cc(O)ccc2O)C)oc(=O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -15.562
InChIKey:VDDQQBXCDVCWCO-UHFFFAOYSA-N
ID: 20871
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2c(ccc(O)c2)-1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.529
InChIKey:WQXFMLNUWABCFK-UHFFFAOYSA-N
ID: 20872
SMILES:C(CC)CCc1c(-c2c(O)cc3c(c2)C=CC(C)(CCC=C(C)C)O3)c(OC)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 600.796
CB1 binding score: -15.501
InChIKey:ZPPCXICILZMCSH-UHFFFAOYSA-N
ID: 20873
SMILES:c1c(CCCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.334
InChIKey:LEDFMVBKTGJRMR-UHFFFAOYSA-N
ID: 20874
SMILES:C1CC=C(C)CCC=C(C)COc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.464
InChIKey:QMFMPCZTDURREP-UHFFFAOYSA-N