ID: 92002
SMILES:C(CCCC)c1cc2c(c(OC(C)=O)c1)C1C(CC=C(C)C1O)C(C)(OCC)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.912
InChIKey:LVVZNOOWAZNWPN-UHFFFAOYSA-N
ID: 92003
SMILES:c1(CC=C)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -19.892
InChIKey:IHDZBQSJFRBIMW-UHFFFAOYSA-N
ID: 92004
SMILES:CC1=CC2c3c(cc(C)cc3O)OC3(C)CCC(C(C)=CC2C(C(CCC=C(C)C)=C)CC1)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -16.132
InChIKey:FDTJUFSLEOCPMX-UHFFFAOYSA-N
ID: 92005
SMILES:C12C(CCC(C)C1)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 92006
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CCC3(C1C(=O)CC2(C)O3)C(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.62
InChIKey:XGAVUFKHCKOWPW-UHFFFAOYSA-N
ID: 92007
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1(C)CCC2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.501
InChIKey:IUPLGNMARIZTKD-UHFFFAOYSA-N
ID: 92008
SMILES:C12C(C)(C)C3C(C)(CC1)Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C2O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.502
InChIKey:JYZGHFBPJMLVCX-UHFFFAOYSA-N
ID: 92009
SMILES:c12c(cc(O)cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 92010
SMILES:C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -17.453
InChIKey:NIVAQGHPRXHFPI-UHFFFAOYSA-N
ID: 92011
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.975
InChIKey:DHXIVHTVASKKFZ-UHFFFAOYSA-N
ID: 92012
SMILES:c1c(C)c(C(CC(C)C)OC(C(C)=CC)=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.884
InChIKey:ZAPAUYLGWWBTKV-UHFFFAOYSA-N
ID: 92013
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 92014
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C1(C)C)CC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.099
InChIKey:IMWCHVFCCPUDQN-UHFFFAOYSA-N
ID: 92015
SMILES:O1C2C(C(C)C)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.399
InChIKey:BLOREXFIXFRXBP-UHFFFAOYSA-N
ID: 92016
SMILES:c1(CCCCCCCC)c(O)c(C2C(C(=C)C)CC=C(C)C2O)c(O)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.064
InChIKey:CUKYNHZGFBIJQD-UHFFFAOYSA-N
ID: 92017
SMILES:C1=C(C)CCC(C(C)C)C1c1c(C#N)c(OC)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.523
CB1 binding score: -14.324
InChIKey:PKJGUQNPIJVXJO-UHFFFAOYSA-N
ID: 92018
SMILES:c1(CCCCCCCC)cc2c(c(O)c1CC=C(C)CCC=C(C)C)OC(C)(C)C1=CCC(C)C1(O2)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.759
CB1 binding score: -12.538
InChIKey:HUVFFDCMWIOSPX-UHFFFAOYSA-N
ID: 92019
SMILES:CCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 92020
SMILES:Oc1c(Cl)c2c(cc1OC)Cc1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.907
CB1 binding score: -16.015
InChIKey:FFSNQWLEQBBADK-UHFFFAOYSA-N
ID: 92021
SMILES:O1C2(C)CCC(CC=C1C)C(C)(C)Oc1c2cc(OC)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.621
InChIKey:DOWVJOLQAQAIDQ-UHFFFAOYSA-N
ID: 92022
SMILES:O=C(CC)c1c(C)c2c(cc1CCCCC)OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -13.036
InChIKey:JFWQVOTWEROOHI-UHFFFAOYSA-N