ID: 61447
SMILES:O(C(=O)C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.566
CB1 binding score: -15.574
InChIKey:VLFFZUJCBOIGPQ-UHFFFAOYSA-N
ID: 61448
SMILES:Cc1ccc2c(c1)-c1c(O)c(CCCCC)cc(O)c1C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.239
InChIKey:MLTRYVPCQMKYFT-UHFFFAOYSA-N
ID: 61449
SMILES:C(CCCCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -18.138
InChIKey:CUNZWRHOBZASJY-UHFFFAOYSA-N
ID: 61450
SMILES:C12(C)Oc3c(cc(CCCCC)cc3O)C3OC3(C)CCC1C(C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.044
InChIKey:ATXDDKIRYGHODQ-UHFFFAOYSA-N
ID: 61451
SMILES:C1(O)C(Oc2c3c(cc(C)c2)OC(C)(CCCC(C)C)C(O)C3)OC(CO)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.533
CB1 binding score: -15.889
InChIKey:IHNWZYWYPHTFIE-UHFFFAOYSA-N
ID: 61452
SMILES:Oc1cc(CCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 61453
SMILES:Oc1cc(CCC)cc2c1-c1c(CC=C(C)C)ccc(O)c1CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -13.126
InChIKey:YAQWFSOGTBUPIF-UHFFFAOYSA-N
ID: 61454
SMILES:C(CCC)Oc1c2c(cc(C)c1)OC(C)(C)C1C2CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.359
InChIKey:MYSHKMUTMPXVOJ-UHFFFAOYSA-N
ID: 61455
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(c32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: Not available
InChIKey:HZCCGTQWOZAACJ-UHFFFAOYSA-N
ID: 61456
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.445
InChIKey:POGDCXWYKATMDN-UHFFFAOYSA-N
ID: 61457
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 61458
SMILES:CN(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C(=O)O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 345.439
CB1 binding score: -16.502
InChIKey:IJDFUBFOWBWEEP-UHFFFAOYSA-N
ID: 61459
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)cc2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.409
InChIKey:BJMZVRMKKMPCLN-UHFFFAOYSA-N
ID: 61460
SMILES:c1c(OCC=C(C)C)ccc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.517
InChIKey:IOCGSYIXHVPHPU-UHFFFAOYSA-N
ID: 61461
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 61462
SMILES:C1(C(=C)C)CCC(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.825
InChIKey:ZOQOWBOVOPMLPU-UHFFFAOYSA-N
ID: 61463
SMILES:O(C(C)=O)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.234
InChIKey:QGJNIHZJNBEVMY-UHFFFAOYSA-N
ID: 61464
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -17.355
InChIKey:PMKFHSXWMNLLKE-UHFFFAOYSA-N
ID: 61465
SMILES:C1C(O)C(C)=CC(c2c(O)ccc(CCCCC)c2)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.649
InChIKey:YURDJBGSSPXBGX-UHFFFAOYSA-N
ID: 61466
SMILES:C1Oc2cc(CCCCC)cc3c2C1C(CC)=C(O)C3=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.075
InChIKey:JESKMXNWGXRIAT-UHFFFAOYSA-N
ID: 61467
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.843
InChIKey:MYLFKTPNSADCFA-UHFFFAOYSA-N