ID: 38704
SMILES:C1=C(C)CCC(C(C)(O)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 38705
SMILES:C1C(C)(CCC=C(C)C)C2CCC(C)=CC2c2c(C)cc(O)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -16.983
InChIKey:JDODPHHOKLLALA-UHFFFAOYSA-N
ID: 38706
SMILES:O1C2OC(=O)C(=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.02
InChIKey:VCZADFLMSQAUPG-UHFFFAOYSA-N
ID: 38707
SMILES:C1(CO)C(=O)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.691
InChIKey:MUZKZHQWTJYJBA-UHFFFAOYSA-N
ID: 38708
SMILES:C(C1CCC(C)(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c21)(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.429
InChIKey:QYDVLDGHUWGPHM-UHFFFAOYSA-N
ID: 38709
SMILES:C1(=C)C2C=C(C)CCC2C(C)(C)Oc2c(C)cc3c1c2C(O)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 354.49
CB1 binding score: -15.526
InChIKey:BGSQPHMSNFLLAT-UHFFFAOYSA-N
ID: 38710
SMILES:O1c2cc(CCCCC)ccc2C2C(C(C)C)CCC(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.015
InChIKey:LBDYZDFIDNQRGH-UHFFFAOYSA-N
ID: 38711
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -14.218
InChIKey:AYQYAHSQVJHDLQ-UHFFFAOYSA-N
ID: 38712
SMILES:CCCc1cc2c(c(O)c1)C1C(C)(CCC2C(C)(C)O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -13.651
InChIKey:KSEFEIRODBZCIF-UHFFFAOYSA-N
ID: 38713
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C2Oc3ccc(O)c(c3)CC2C(C)(C)O1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -16.483
InChIKey:JMZGOBDUHXITIY-UHFFFAOYSA-N
ID: 38714
SMILES:C1=C(C)CCC=C(C)C=CC2C(C)(Oc3cc(CCCCC)c(C(=O)O)c(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -12.168
InChIKey:VQQDBGUWJIVURI-UHFFFAOYSA-N
ID: 38715
SMILES:C(=C)(C1CCC(C)=CC1c1cc(CNC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 271.404
CB1 binding score: -17.758
InChIKey:ASBGNORTBBTWCU-UHFFFAOYSA-N
ID: 38716
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c(C(=O)COCC)c(C)c(O)cc32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.265
InChIKey:DSIFIJQMEXMGFC-UHFFFAOYSA-N
ID: 38717
SMILES:C1C(CO)CCCC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -14.412
InChIKey:PBGRNRRQPUTRTN-UHFFFAOYSA-N
ID: 38718
SMILES:O=S(O)(=O)Oc1c2c(cc(CCCCC)c1)OC(CCC=C(CCC=C(C)C)C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.668
CB1 binding score: -16.862
InChIKey:RLPATWJEPYAGOO-UHFFFAOYSA-N
ID: 38719
SMILES:O(c1c(C)c2c(c(C)c1)C1C=C(C)C(=O)CC1C(C)(C)O2)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -13.505
InChIKey:DWJRTMCNCKELAJ-UHFFFAOYSA-N
ID: 38720
SMILES:C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(O)=O)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.757
InChIKey:SORDZCWIUHDLNX-UHFFFAOYSA-N
ID: 38721
SMILES:C1C=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.336
InChIKey:WOXZNUJCXZBGDA-UHFFFAOYSA-N
ID: 38722
SMILES:C(CC)CCc1cc(O)c2c(c1)C1C(=O)C(C)(CC=C(CCC=C(C)C)C)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.369
InChIKey:NHUKEWUPGOZXJM-UHFFFAOYSA-N
ID: 38723
SMILES:C12(C(=O)OC(C)(C)C(C3C(C(C)=CC)C1O)C3)Oc1ccccc1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.139
InChIKey:KHUJNIGYQKQYEJ-UHFFFAOYSA-N
ID: 38724
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(O)(C)C(CCC(C)=C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.348
InChIKey:MQHOWJBQHRRCDA-UHFFFAOYSA-N