ID: 96979
SMILES:C1C(c2c(O)cc(CCCCC)c(C=O)c2O)C(C(=C)C)CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.257
InChIKey:IYJAVJHZOZMFBG-UHFFFAOYSA-N
ID: 96980
SMILES:c1(OCC=C(C)C)c(O)c(CCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.091
InChIKey:WNSZHFNROMCMHZ-UHFFFAOYSA-N
ID: 96981
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 96982
SMILES:CC1=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -18.142
InChIKey:SZPHYTJHUNYTBP-UHFFFAOYSA-N
ID: 96983
SMILES:CC1(C)C2CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.125
InChIKey:PBCOSSIOLPRQDA-UHFFFAOYSA-N
ID: 96984
SMILES:O=C1C(O)(C(=C)CC2CCC3C(C)(C)C2C3)CCC2(C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -13.571
InChIKey:HKFRENDJSOHTDM-UHFFFAOYSA-N
ID: 96985
SMILES:c1(O)cc(CCCC)ccc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.35
InChIKey:ONUSETJNXRTNAA-UHFFFAOYSA-N
ID: 96986
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 96987
SMILES:C1C=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.506
InChIKey:PFHWILMKVLRSKL-UHFFFAOYSA-N
ID: 96988
SMILES:CC1(CO)C2CCC(C)=CC2c2cc(C(=O)O)cc(CCC(C(C)C)=C)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -12.302
InChIKey:WWRISAKPMPYOFI-UHFFFAOYSA-N
ID: 96989
SMILES:c1(O)cc2c(cc1C)OC(C)(C)c1c-2cc(C(C)(OC)CCCC(C)(O)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.33
InChIKey:UGQPMJJOJPWTKG-UHFFFAOYSA-N
ID: 96990
SMILES:CC(C)C1C2C(Cc3c(ccc(C=O)c3C(=O)OC)C2)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.601
CB1 binding score: -15.065
InChIKey:NTXMFIRZPCSRQD-UHFFFAOYSA-N
ID: 96991
SMILES:C(=C(C(SCC(CC)C)=S)COCc1c2c(ccc1O)OC1(C)C(OC(C)(C)CC1)CC2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.747
CB1 binding score: -14.641
InChIKey:OSIMGKLPMJQPQT-UHFFFAOYSA-N
ID: 96992
SMILES:C(C(O)(CCCC(=CC(=O)CC(=CCc1cc(O)cc(C)c1O)C)C)C)C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -18.145
InChIKey:XVULSFBGHRXCJU-UHFFFAOYSA-N
ID: 96993
SMILES:Oc1cc(C)cc(O)c1C1C(C(C)=C)CCC(C)(Oc2cc(C)cc(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -14.216
InChIKey:RWACLTMEGVYOFM-UHFFFAOYSA-N
ID: 96994
SMILES:c1(CCCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 96995
SMILES:C1CC2(Cc3c(O)cc(CCCCC)cc3O2)C(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.243
InChIKey:BHHNWLHABJVGAL-UHFFFAOYSA-N
ID: 96996
SMILES:C1(Cc2c(OC)cc(CCCC)cc2O)C(C)(CCCC(C)C)CCCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.636
CB1 binding score: -4.782
InChIKey:ZRNDHAIHUOHAON-UHFFFAOYSA-N
ID: 96997
SMILES:c1(CCCCCC)cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.246
InChIKey:JESRUXPFPMTPIY-UHFFFAOYSA-N
ID: 96998
SMILES:C12(C)C3C(C)(OC(=O)CC1OC(=O)C)CC(C(=C)C)C3c1c(O)cc(CC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -16.394
InChIKey:MXGZAPXXCZMNDD-UHFFFAOYSA-N
ID: 96999
SMILES:c1(CCCCC)cc(OC)c2c(c1O)OC(CCC=C(CCC=C(COC(C)=O)C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -12.572
InChIKey:MNEIONZUJIVBOJ-UHFFFAOYSA-N