ID: 111994
SMILES:COC1(C)C2C(c3c(O)c(CCCC)cc(O)c3C2=O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.605
InChIKey:NTRZCHTWAGIPBH-UHFFFAOYSA-N
ID: 111995
SMILES:O1c2cc(C)c(Br)cc2C2(C1C)CC(C)=CC2c1c(O)cc(CCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 443.381
CB1 binding score: -13.015
InChIKey:XNKVYCKLUZREQC-UHFFFAOYSA-N
ID: 111996
SMILES:C(C)(O)(C(O)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 348.483
CB1 binding score: -16.455
InChIKey:MOOOBCHQNPABOK-UHFFFAOYSA-N
ID: 111997
SMILES:C(CCCc1cc2c(c(O)c1)CC1C(C)(O2)OCC1CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.724
InChIKey:HTBBQVHULCRKLG-UHFFFAOYSA-N
ID: 111998
SMILES:C1(=O)c2c3c(c(O)cc2C)OC(C)(C)C(O)(CCC3(C)O)c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.563
CB1 binding score: -14.708
InChIKey:UCYIJAJWQIRBOB-UHFFFAOYSA-N
ID: 111999
SMILES:C1(C)CC(C)(C)C=CC1=C(O)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.459
InChIKey:WLMJKZMUIALGQP-UHFFFAOYSA-N
ID: 112000
SMILES:c1c(CCCCC)cc2c(c1O)C1OCC(C)C1C=C2C(NC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 329.44
CB1 binding score: -16.147
InChIKey:APFDQKRYKVGPHU-UHFFFAOYSA-N
ID: 112001
SMILES:CC(c1ccc2c(c1O)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.434
InChIKey:JVCWTWLKDKAEHQ-UHFFFAOYSA-N
ID: 112002
SMILES:C1C(C(=C)C)C2c3c(ccc(CCCCC)c3O)OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.116
InChIKey:RRGIQGPDCUIIFM-UHFFFAOYSA-N
ID: 112003
SMILES:C1C2C3(C(C(CCNc4c(N)cccc4)=C1)C(C=CC(=O)O)C(O)=C(C(=O)C(CC)C)C3=O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.615
CB1 binding score: -12.539
InChIKey:XJNRNVFPLGGSRB-UHFFFAOYSA-N
ID: 112004
SMILES:C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.404
InChIKey:IBSBWOIOMTZHJY-UHFFFAOYSA-N
ID: 112005
SMILES:c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 112006
SMILES:CC1=CC(c2c(OC)cc(CCCCC)cc2OC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.878
InChIKey:UYBGHBAVRNATET-UHFFFAOYSA-N
ID: 112007
SMILES:CC1(CCC=C(CCC=C(C)C)C)C=Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 112008
SMILES:C(c1cc2c(c(O)c1OC)C1(C(=O)CC(C)(C)O2)CC(C=C(C(=O)O)C)OC1=O)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.469
CB1 binding score: -15.399
InChIKey:AUELAFCWEWMVQC-UHFFFAOYSA-N
ID: 112009
SMILES:C1=C2C(C)(C)CCCCC2(C)Oc2cc(CCCC)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.305
InChIKey:TWMNEUKCIQOKQN-UHFFFAOYSA-N
ID: 112010
SMILES:C1C2(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N
ID: 112011
SMILES:C(CC(C)CC(CC(C)CCc1cc(O)c(CC)cc1OC)OC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.834
CB1 binding score: -14.858
InChIKey:QJXFNUWCRCKDRD-UHFFFAOYSA-N
ID: 112012
SMILES:C(C(C)c1cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -15.185
InChIKey:RQDTYVRZSNGDQT-UHFFFAOYSA-N
ID: 112013
SMILES:C(C)(C1CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 112014
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N