ID: 69994
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(CCCCC)cc(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 69995
SMILES:C12C(C)(C)C1C1c3c(cc(CCCCC)cc3O)OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.347
InChIKey:BESBHHIUFZITCL-UHFFFAOYSA-N
ID: 69996
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.854
InChIKey:YLTPWQDBFMISAB-UHFFFAOYSA-N
ID: 69997
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 69998
SMILES:C12CCC(C(O)=O)=CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.286
InChIKey:JTKORJZQFSXYNC-UHFFFAOYSA-N
ID: 69999
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(C(O)CCC(=C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -13.6
InChIKey:SAIVKCAOHUNSPL-UHFFFAOYSA-N
ID: 70000
SMILES:O1C2(C)CCC3(Oc4c(c(O)cc(CCCCCC)c4)C(O)C3C)C1OC2CC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -14.582
InChIKey:FVTNLOQUCINAOY-UHFFFAOYSA-N
ID: 70001
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1C1C2(O)C(=C)CCC12C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.203
InChIKey:MWPGADJTMFJXPS-UHFFFAOYSA-N
ID: 70002
SMILES:C(C)C1(CCO)C(C2CCC3C(C)(C)Oc4c(C(O)=O)c(C)cc(O)c4C23)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -13.721
InChIKey:TYTLLCACRXOWJT-UHFFFAOYSA-N
ID: 70003
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 70004
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(O)cc(C)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.186
InChIKey:WZFNLENHBZSJHG-UHFFFAOYSA-N
ID: 70005
SMILES:CCCCCc1cc(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: 70006
SMILES:O=C(C)Oc1c(O)c2c(c(C)c1)C1CC(=C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.063
InChIKey:UETXEDHRRIPUOL-UHFFFAOYSA-N
ID: 70007
SMILES:C12C(CCCC(C)C)(C)C3CCC1(C)Oc1c(cc4c(c1O)C15OC(C)(C)C(CC1(C)C2CC53)O4)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.77
CB1 binding score: -13.807
InChIKey:QQWRLZBBFCONPG-UHFFFAOYSA-N
ID: 70008
SMILES:CC(=CC1C2c3c(O)cc(CCC)cc3OC2(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -13.595
InChIKey:NSMPGIWVAZUPOT-UHFFFAOYSA-N
ID: 70009
SMILES:c1(O)cc(CCCCC)cc2c1OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.232
InChIKey:VOSIUROXKQMZTJ-UHFFFAOYSA-N
ID: 70010
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 70011
SMILES:O(C1C2C(CC(=O)C2(C)O)c2c(cc(CCCCC)cc2O)O1)C(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -15.141
InChIKey:OARLCAGMHALFSL-UHFFFAOYSA-N
ID: 70012
SMILES:C1(O)C(C)=CCC2c3c(c(CC=C(C)C)c(C)cc3O)OC(C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.293
InChIKey:YMQGQOLKQUZMDX-UHFFFAOYSA-N
ID: 70013
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C)=CC(OC(=O)C)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.98
InChIKey:FBRPSERCNAATMX-UHFFFAOYSA-N
ID: 70014
SMILES:C1(C)(C)C2C(c3c(O)cc(CCCCC)cc31)OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.862
InChIKey:WYXYJEYWIOBNDF-UHFFFAOYSA-N