ID: 35869
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCO)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.915
InChIKey:LNEDOGQBWSHVNR-UHFFFAOYSA-N
ID: 35870
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 35871
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 35872
SMILES:c1c(C(=O)C=C(CCC=C(C)C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.002
InChIKey:HQQCZLGWIATBPM-UHFFFAOYSA-N
ID: 35873
SMILES:C1(C)=CCC2C1c1c(O)cc(C)cc1OC2(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.113
InChIKey:WSLIDCAFNVLAKR-UHFFFAOYSA-N
ID: 35874
SMILES:C1(C)=CCC(C(=C)C)C(c2c(O)cc(CC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.979
InChIKey:ULASTLGOVDSGEJ-UHFFFAOYSA-N
ID: 35875
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35876
SMILES:C1(O)C(Cl)CC2(C)C3C4(C)CC2c2c(O)cc(CCCCC)cc2OC(C)(C)C(C1)C34
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 447.059
CB1 binding score: -15.562
InChIKey:PPICHGMWHTXYJI-UHFFFAOYSA-N
ID: 35877
SMILES:C(CO)c1cc(O)c(C2C=C(C)CCC2C(CCC=C(COC(=O)CC(C)CC)C)(C)O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -14.552
InChIKey:IJUFRIRMOPAMQV-UHFFFAOYSA-N
ID: 35878
SMILES:Oc1c2c(cc(CCCCCCC)c1)OC(C)(C)C1C2(O)C=C(C)C(=O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.164
InChIKey:DMJCAOOXVNXSKN-UHFFFAOYSA-N
ID: 35879
SMILES:c1(CCCCCC)c(O)c2c(c(CO)c1OC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.909
InChIKey:RNNSWMIMIUWCMY-UHFFFAOYSA-N
ID: 35880
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 35881
SMILES:C(CCCC)c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 35882
SMILES:C(CC(C)O)C1c2c(O)cc(CCCCC)c(C(=O)O)c2OC(CCC=C(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.528
InChIKey:ZYJSYUSAVNCYNM-UHFFFAOYSA-N
ID: 35883
SMILES:OCC1=CC(c2cc(C(O)C(O)COC(CCCCC)=O)ccc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -14.81
InChIKey:UFUHUXJKKUCNFN-UHFFFAOYSA-N
ID: 35884
SMILES:O(c1c(Br)c2c(cc1C)OC(C)(C)C1CCC(C)=CC12)C(=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.321
CB1 binding score: -14.82
InChIKey:PXPVQACXZOSORT-UHFFFAOYSA-N
ID: 35885
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.116
InChIKey:VDVNEMMJEFVJHF-UHFFFAOYSA-N
ID: 35886
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35887
SMILES:c1(OC)c(O)c2c(cc1OCC1C(CC3C(C)(C)Oc4c3ccc(O)c4CC=C(C)C)C(=O)C(C)=C1c1ccccc1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 734.93
CB1 binding score: -12.652
InChIKey:RGOQCSATCHNHGJ-UHFFFAOYSA-N
ID: 35888
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1cc(C)c(Br)cc12)Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.154
CB1 binding score: -12.294
InChIKey:OPCDPQROZYGNGS-UHFFFAOYSA-N
ID: 35889
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N