ID: 105022
SMILES:C(Cc1c(OC)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCOCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.826
InChIKey:KRKAPSOVHQAJLW-UHFFFAOYSA-N
ID: 105023
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)-c2cc(C)ccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -21.105
InChIKey:SVTKBAIRFMXQQF-UHFFFAOYSA-N
ID: 105024
SMILES:CC(=CC=CC(C)(O)C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.4
InChIKey:HYGZTIYIUWSIPN-UHFFFAOYSA-N
ID: 105025
SMILES:CC(C(OC(c1cc(OC)c(O)c2c1OC(C)(CCC=C(C)C)C=C2)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.24
InChIKey:RMLXSKFNBFISAM-UHFFFAOYSA-N
ID: 105026
SMILES:C(C1C(C(C)=C)C(c2c(O)c(O)cc(CCCCC)c2)C=C(C)C(O)C1)(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.12
InChIKey:HPBOPHCETUXJCZ-UHFFFAOYSA-N
ID: 105027
SMILES:c1(O)c(C2(CO)OC(C)(C)C(O)C2)c(O)cc(COC(=O)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.345
CB1 binding score: -14.732
InChIKey:OQTZQNCXRQFSDH-UHFFFAOYSA-N
ID: 105028
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 105029
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(OC)cc(C)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.933
InChIKey:WOAVEKPXADZQKI-UHFFFAOYSA-N
ID: 105030
SMILES:CCCCCc1c(O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.622
InChIKey:VUACIIASMNRNBB-UHFFFAOYSA-N
ID: 105031
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -17.842
InChIKey:UEBHUEXCBBRFFS-UHFFFAOYSA-N
ID: 105032
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=CCC(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.346
InChIKey:UOSUIHXLUAJQTP-UHFFFAOYSA-N
ID: 105033
SMILES:c12cc(CCCCC)cc(O)c1CC(C(=C)C)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -17.131
InChIKey:DDENEXOLCPCOCB-UHFFFAOYSA-N
ID: 105034
SMILES:CC1(C)Oc2cc(C)cc(OC)c2CC1=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -14.89
InChIKey:KRBZQECKAZLLMC-UHFFFAOYSA-N
ID: 105035
SMILES:C(c1cc(C2(C)OC(C)(C)CCC2)c(O)cc1C)CC(CC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -14.417
InChIKey:ZOAKMVYQRUFJQA-UHFFFAOYSA-N
ID: 105036
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)c(C(C)(C)CCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.06
InChIKey:OQOYEIRWVHQATM-UHFFFAOYSA-N
ID: 105037
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 105038
SMILES:OC1c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -17.226
InChIKey:KLQUYLIHCSMIPD-UHFFFAOYSA-N
ID: 105039
SMILES:C(CC=C(C)C)C1(C)C2CCC(C)=CC2Cc2c(cc(C)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 340.507
CB1 binding score: -16.902
InChIKey:JUBDKLCTMCSIMS-UHFFFAOYSA-N
ID: 105040
SMILES:C(C=C)(C)(CCC=C(C)C)c1c(OC)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 330.512
CB1 binding score: -16.475
InChIKey:ZJPDHCKNSIFJFP-UHFFFAOYSA-N
ID: 105041
SMILES:C1(C)=CC(c2c(O)ccc(OC)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 105042
SMILES:CC(CCC=C(C)C)=CCC12Cc3c(O)cc(CCCCC)cc3OC(C)(C)C1C(=O)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -13.941
InChIKey:RUZKNTZAKRADKV-UHFFFAOYSA-N