ID: 81880
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(C(C)C)c(O)cc32)CC1)#N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.398
CB1 binding score: -14.054
InChIKey:UERKXGQJMYUHQQ-UHFFFAOYSA-N
ID: 81881
SMILES:O(C(C)=O)C1(c2c(OC(=O)C)cc(CCCCCC)cc2O)C2C(C)(O1)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -12.358
InChIKey:BBXCLACKRLRVNO-UHFFFAOYSA-N
ID: 81882
SMILES:C1(O)C2c3c(cc(CCCCC)cc3O1)OC(C)(C)C2C=CC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.643
InChIKey:RBHVMEPOPQDRAA-UHFFFAOYSA-N
ID: 81883
SMILES:C=CCCCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.385
InChIKey:PKQOIAJUZOUBOD-UHFFFAOYSA-N
ID: 81884
SMILES:C(CC=C(C)C)C(C)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 81885
SMILES:C1(C)C(C)(C(=O)OC)C(c2c(O)ccc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.108
InChIKey:UOGQSSHXDJROOI-UHFFFAOYSA-N
ID: 81886
SMILES:C1=C(C)CCC(C(C)=C)C1c1cc(CNC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 271.404
CB1 binding score: -17.758
InChIKey:ASBGNORTBBTWCU-UHFFFAOYSA-N
ID: 81887
SMILES:c1(CCCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)cc(O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.373
InChIKey:GHBFJCDPLVEKFY-UHFFFAOYSA-N
ID: 81888
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(OC(C)=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.32
InChIKey:BWTYFOKXWNMLBZ-UHFFFAOYSA-N
ID: 81889
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -21.025
InChIKey:CUXNLZIJHQOPIO-UHFFFAOYSA-N
ID: 81890
SMILES:C1C2c3c(cc(CCCCC)cc3O1)OC(C=C(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.655
InChIKey:KHHPBBHRWPSKDN-UHFFFAOYSA-N
ID: 81891
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 81892
SMILES:c1(CCCCC)cc2c(c(O)c1)CC(C)CC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -16.591
InChIKey:YUOQUBAHRHBBCM-UHFFFAOYSA-N
ID: 81893
SMILES:CC(=CCc1c(C)c2c(c(OC)c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.978
InChIKey:IIGKDEJSEOPOLY-UHFFFAOYSA-N
ID: 81894
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1(C2)CCC(C)=CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.459
InChIKey:NXIAFQWBBJGTGJ-UHFFFAOYSA-N
ID: 81895
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 81896
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 81897
SMILES:C(C(C)(O)C)CCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 378.509
CB1 binding score: -16.977
InChIKey:LJBFFDUHHHECFR-UHFFFAOYSA-N
ID: 81898
SMILES:CC1(C)Oc2c(c(COC(C)=O)c(OC)cc2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.237
InChIKey:FAIDWLDGBISRBU-UHFFFAOYSA-N
ID: 81899
SMILES:C(=C)(C1CCC(C)C=C1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.816
InChIKey:XCVYBASXVCEZLB-UHFFFAOYSA-N
ID: 81900
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CC1C(C)(O2)CCCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.557
InChIKey:DLNOIEGZRZOFLT-UHFFFAOYSA-N