ID: 99457
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)C2)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -15.552
InChIKey:NKDARGVTXLYYDP-UHFFFAOYSA-N
ID: 99458
SMILES:CC1CC(OC(C=O)=O)C2C(C=C1C)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.74
InChIKey:LLMWOCIGBCBHJB-UHFFFAOYSA-N
ID: 99459
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC1C(C)(C)O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 346.511
CB1 binding score: -16.34
InChIKey:UAFAPUVSOSZPLN-UHFFFAOYSA-N
ID: 99460
SMILES:Oc1c2c(cc(C)c1)OC(C)(C)C1C2CC(C)CC1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.687
InChIKey:DNWIWLNUDHKILW-UHFFFAOYSA-N
ID: 99461
SMILES:C1c2c3c(c(=O)oc2cc(CCCCC)cc1O)OC(C)(C)CC3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: Not available
InChIKey:DEBHMBHQTMBRKX-UHFFFAOYSA-N
ID: 99462
SMILES:c1(CC(C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.798
InChIKey:GFWPAELORNPXSR-UHFFFAOYSA-N
ID: 99463
SMILES:C(Cc1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CC21)(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -16.099
InChIKey:GJWGETLFJRXSBE-UHFFFAOYSA-N
ID: 99464
SMILES:C1=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C1(C)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.436
InChIKey:KHBVIUGKEDBNQO-UHFFFAOYSA-N
ID: 99465
SMILES:CCCCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)C2C(CC(O)C(C)=C2)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -15.717
InChIKey:HWURXXQUJALWJA-UHFFFAOYSA-N
ID: 99466
SMILES:CC(C)=CCCC(=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 99467
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C3CC(C)(O)C(CC1)OC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -13.203
InChIKey:PIWRWYNIOQIYEV-UHFFFAOYSA-N
ID: 99468
SMILES:c1(CCNC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -17.387
InChIKey:PJSBLORUJMSRML-UHFFFAOYSA-N
ID: 99469
SMILES:c1(CCCCC)c(O)c(C2C(C(C)=C)CC(c3cocc3)O2)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 410.598
CB1 binding score: -14.953
InChIKey:ALZHNFFOFJLKEU-UHFFFAOYSA-N
ID: 99470
SMILES:C(CC=C(CCC=C(C)C)C)c1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.394
InChIKey:CISYTRNYCIFKEX-UHFFFAOYSA-N
ID: 99471
SMILES:CC1=CCCC(C)=CC2C(C(C)(C)Oc3cc(C)c(I)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.377
CB1 binding score: -14.59
InChIKey:FQNJUNQUPVIHHP-UHFFFAOYSA-N
ID: 99472
SMILES:C1(CC)=C(O)CCC2C(CCC(C(C)=C)O)(C)OC(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -14.788
InChIKey:SHUIYDQALVVFGT-UHFFFAOYSA-N
ID: 99473
SMILES:c1(C(=O)CC(C)C)cc(O)c2c(c1C)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.674
InChIKey:JMWQILXEIYUASZ-UHFFFAOYSA-N
ID: 99474
SMILES:c1(C)c2c(cc(O)c1)OC(C(C=CC=C(C)C)C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.759
InChIKey:YBKMINXCOAXQMV-UHFFFAOYSA-N
ID: 99475
SMILES:C1C(O)(C)CCC2C3=C(CC12)C(C)(O)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.526
InChIKey:HTCPPMLXNFZAMY-UHFFFAOYSA-N
ID: 99476
SMILES:O(c1c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)cc(O)c1CCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.372
InChIKey:UMAIGTZODIDQSU-UHFFFAOYSA-N
ID: 99477
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(O)(C)C=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.25
InChIKey:PGZISGZFEFJPOZ-UHFFFAOYSA-N