ID: 51997
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C(=O)OC)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 51998
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.748
InChIKey:MSFQJCWLUOJTPP-UHFFFAOYSA-N
ID: 51999
SMILES:c1(C=O)cc(O)c(OC)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.018
InChIKey:UNOLGGALVRNLBN-UHFFFAOYSA-N
ID: 52000
SMILES:C(C=C(C)C)CC(C(O)=O)=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.785
InChIKey:WGTIRFVSCKAZRB-UHFFFAOYSA-N
ID: 52001
SMILES:C1(CCC(=O)C)C(C)(C)Oc2cc(CCCCC)c(O)c3c2C1CC(C)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.947
InChIKey:GPUYJNHVARXRMS-UHFFFAOYSA-N
ID: 52002
SMILES:CCCCCc1cc2c(c(O)c1)C1C3C(C(C)(O2)CCC1C(=C)C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.525
InChIKey:HHBFDJBOHRNZNJ-UHFFFAOYSA-N
ID: 52003
SMILES:O=C(C(C(C)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.519
InChIKey:PJEPTCRKEABIMC-UHFFFAOYSA-N
ID: 52004
SMILES:C1C2(C)CC3C(CC2Cc2c(O)cc(CCCCC)cc2O3)C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.659
InChIKey:OMXALJXPFYUEHJ-UHFFFAOYSA-N
ID: 52005
SMILES:c12c(c(CCCCC)cc(O)c1)OC(CO)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.582
InChIKey:HQYKANBBRWFMQG-UHFFFAOYSA-N
ID: 52006
SMILES:O(C)c1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.082
InChIKey:LCLIAVCOFGJGHZ-UHFFFAOYSA-N
ID: 52007
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 52008
SMILES:C(C=C(C)C)c1cc(O)c2c(c1)OC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 232.323
CB1 binding score: -17.983
InChIKey:QUEZKIFZDDULLZ-UHFFFAOYSA-N
ID: 52009
SMILES:c1cc(C=CC(O)=CC(=O)CCCCCCCCC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -13.842
InChIKey:DQECBPBGRKULTB-UHFFFAOYSA-N
ID: 52010
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -19.615
InChIKey:UPPMRXFTGBOGTA-UHFFFAOYSA-N
ID: 52011
SMILES:c1c(CCCC)cc2c(c1O)OC(CCC1C(=C)CCC(C(O)(C)C)O1)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.88
InChIKey:QPTJKJSJJMODBB-UHFFFAOYSA-N
ID: 52012
SMILES:C(CCO)c1ccc2c(c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.35
InChIKey:GFGFVKSQLKSFLH-UHFFFAOYSA-N
ID: 52013
SMILES:C1C(C)=CCCC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.797
InChIKey:SXAYRHMKDKIGKJ-UHFFFAOYSA-N
ID: 52014
SMILES:C(Cc1c2c(cc(O)c1)C=CC(C)(CCC=C(C)C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.291
InChIKey:FFUWPSOUQRLGHT-UHFFFAOYSA-N
ID: 52015
SMILES:O(c1c(CCC)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)C1OC(C)C(c2ccc(O)c(OC)c2)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.721
CB1 binding score: -16.188
InChIKey:LXLUJAKBXZOJSG-UHFFFAOYSA-N
ID: 52016
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 52017
SMILES:O(c1cc(CCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.196
InChIKey:ZRERUFFFEBMDPG-UHFFFAOYSA-N