ID: 54853
SMILES:c1(CCCC)cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 54854
SMILES:Cc1cc(CCCCC)cc2c1C1C(C(=C)C)CCC1(C)C(O)C=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -14.009
InChIKey:NBSHPWRBCZEMBI-UHFFFAOYSA-N
ID: 54855
SMILES:c12c(cc(CC(CCCC(C)=C)C)c(O)c1O)OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.871
InChIKey:NPVBDURCIOEKII-UHFFFAOYSA-N
ID: 54856
SMILES:CC1=CCCC2C(C(OC)=O)(c3c(O)cc(CCCCCO)cc3O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.34
InChIKey:PVJGYNJJGBEIRM-UHFFFAOYSA-N
ID: 54857
SMILES:C(CCC1C(C)(C)Oc2cc(CCCCC)c(O)c(OC)c21)=C(C)COC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.811
InChIKey:NQBXVNAPTKDANZ-UHFFFAOYSA-N
ID: 54858
SMILES:c1(CC=C(C)C)c(O)c(C(OCCc2ccccc2)=O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Phenolic acids (C6-C1);Meroterpenoids
Class: Cannabinoids;Shikimic acids and derivatives
MW: 462.63
CB1 binding score: -13.773
InChIKey:SJQBGXYTPAUDFI-UHFFFAOYSA-N
ID: 54859
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 54860
SMILES:COc1c(C(C(CC)C)=O)c2c(c(O)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.876
InChIKey:DTLZNKMVJNKGDN-UHFFFAOYSA-N
ID: 54861
SMILES:C1(=C)C2(C)Oc3cc(CCCCC)cc(O)c3C3C2(OO)C1CC(C=O)=CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -15.67
InChIKey:QIYPFUDBNMODOB-UHFFFAOYSA-N
ID: 54862
SMILES:C(Cc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -16.735
InChIKey:SZBPWKALCAVPIQ-UHFFFAOYSA-N
ID: 54863
SMILES:C(C)CCc1c(C(=O)O)c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.815
InChIKey:CSQBJQGFPBRFCB-UHFFFAOYSA-N
ID: 54864
SMILES:Oc1c(C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 54865
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.681
InChIKey:YQEOBXBWXOQUTL-UHFFFAOYSA-N
ID: 54866
SMILES:C(CCCc1cc2c(c(O)c1)C1C(=O)C(C)(C)C(=O)C(C)(C)C1(O)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.897
InChIKey:RFODBPKDJMAZQO-UHFFFAOYSA-N
ID: 54867
SMILES:O=c1cc2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.352
InChIKey:HBEKGUVOOOGBOV-UHFFFAOYSA-N
ID: 54868
SMILES:O1c2ccc(CCCCC)c(O)c2C2CC(C)CCC2C1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.872
InChIKey:ZZQISDWTJKVPKU-UHFFFAOYSA-N
ID: 54869
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCCCCC)c3)C3C2(C)CC(O)C(=C)C13C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.2
InChIKey:BNWFHFRGPDEFDZ-UHFFFAOYSA-N
ID: 54870
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)C2)c1c(O)c(C(C)C)cc(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: Not available
InChIKey:WHGWMCSMWSIIOF-UHFFFAOYSA-N
ID: 54871
SMILES:C(CCCC)Cc1c(C(=O)O)c(O)c2c3c1OC1(C)CC3C(C(C)(C)O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.472
InChIKey:IIZVMTOTYZECDK-UHFFFAOYSA-N
ID: 54872
SMILES:CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 54873
SMILES:C1CC2(C)C(=CC1=O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.876
InChIKey:UITCVUQPHQBERH-UHFFFAOYSA-N