ID: 57499
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 57500
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 57501
SMILES:CC1(C)C2CC(O)C(C)=CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.125
InChIKey:PBCOSSIOLPRQDA-UHFFFAOYSA-N
ID: 57502
SMILES:C12C(=C(c3cc(CCCCC)ccc3O)C(=O)O1)C1C(CC=C(C)C1)C(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.159
InChIKey:AXHKCQCSNGECQR-UHFFFAOYSA-N
ID: 57503
SMILES:C(C)(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1OC)CCC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.892
InChIKey:YMOPWTOOBMUWAW-UHFFFAOYSA-N
ID: 57504
SMILES:C(CC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 57505
SMILES:C1C(O)(C)CCC(C(C)C)C1c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 334.5
CB1 binding score: -15.78
InChIKey:BDBZZIPYGJGONN-UHFFFAOYSA-N
ID: 57506
SMILES:C(CCCCCCCCCC)C(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.776
CB1 binding score: -17.395
InChIKey:UFEIGGAPRDUFFO-UHFFFAOYSA-N
ID: 57507
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)ccc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 57508
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 57509
SMILES:C(Cc1c(O)cc(CCCCC)c(C(=O)O)c1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 57510
SMILES:O1C(=O)C2(O)C3C(CC12)C(C)(C)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -16.417
InChIKey:KQJOAUCXOORJOC-UHFFFAOYSA-N
ID: 57511
SMILES:C1=CC23C(C)CCC2C(C)(C)OC3=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 204.313
CB1 binding score: -16.36
InChIKey:QHPFAIFYXYRWML-UHFFFAOYSA-N
ID: 57512
SMILES:c1c2c(c(CCC)cc1O)OC(C)(C)C1=CC(=O)C(C)(CC1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.268
InChIKey:NJYCJPVKWQAELV-UHFFFAOYSA-N
ID: 57513
SMILES:OC1(C(C)C)CCC2(C)Oc3c(c(O)cc(CCCC)c3)C3C2C1CCC3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 386.576
CB1 binding score: -16.866
InChIKey:CZGDOBQVPZVYJZ-UHFFFAOYSA-N
ID: 57514
SMILES:C(C(CCCCCC)C)CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.647
CB1 binding score: -13.73
InChIKey:CIOMIOURCPFSEH-UHFFFAOYSA-N
ID: 57515
SMILES:Oc1c(-c2c(C)cc(Oc3cc(C)cc(C4C(C)(C)CCc4)c3CCCCC)cc2)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.669
CB1 binding score: -14.793
InChIKey:PRGKBHNTKDIJTN-UHFFFAOYSA-N
ID: 57516
SMILES:C1C(C(C)=C)C(c2c(O)cc(C)cc2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 57517
SMILES:C(CCCCC)Cc1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.351
InChIKey:LTKCCBSZCVMGLB-UHFFFAOYSA-N
ID: 57518
SMILES:C1C(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.758
InChIKey:BBSLEQVLKFGGIE-UHFFFAOYSA-N
ID: 57519
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC2C34C(C(C)(CCC3=O)OO4)CC(C3(C)CCC13C)C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -16.055
InChIKey:VEVQGVPYVSTZSI-UHFFFAOYSA-N