ID: 45697
SMILES:C(Oc1cc(O)cc(CCCCC)c1)C=C(C)CCC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.832
InChIKey:BNWJZHOKQJYRLP-UHFFFAOYSA-N
ID: 45698
SMILES:Oc1c(C2C=C(C)CCC2C(=C)C)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 45699
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(CCC1C(C)(O)CCC(C(C)(O)C)O1)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -14.962
InChIKey:XIIDMMNDIYDLDE-UHFFFAOYSA-N
ID: 45700
SMILES:c1(C=O)c2c(c3c(cccc3O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.404
CB1 binding score: -14.605
InChIKey:UUFVFTGFYLAZKD-UHFFFAOYSA-N
ID: 45701
SMILES:OC(C)(CC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.12
InChIKey:LDISVBNLGZWERS-UHFFFAOYSA-N
ID: 45702
SMILES:C(CC)CCC(OC1C(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -16.141
InChIKey:ICMNMDWUJNWSKS-UHFFFAOYSA-N
ID: 45703
SMILES:c1(C(=O)c2c(OCC=C(CCC=C(C)C)C)cc(OS(=O)(=O)O)cc2)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c2c1OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 748.979
CB1 binding score: -11.961
InChIKey:VMMTXRKQMCNVDL-UHFFFAOYSA-N
ID: 45704
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 45705
SMILES:C(=CC=C(C)CCC=C(C)C)C(C)=CCc1cc(OC(C)=O)cc(C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.502
InChIKey:TXMGMKROCHCBBU-UHFFFAOYSA-N
ID: 45706
SMILES:Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.007
InChIKey:HVWMQRXLBUPTHQ-UHFFFAOYSA-N
ID: 45707
SMILES:CC1=CC(c2cc(CCCCC)ccc2O)OC2C1CC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -11.839
InChIKey:LGVZMDLHTRXBPP-UHFFFAOYSA-N
ID: 45708
SMILES:C(C)C(O)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.624
InChIKey:ZKGBPYCKTOCPLS-UHFFFAOYSA-N
ID: 45709
SMILES:c1c(CCCCC)cc2c(c1O)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 45710
SMILES:C(C(C)C)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.669
InChIKey:BPDKEIKPFDDWCC-UHFFFAOYSA-N
ID: 45711
SMILES:C(C)(CC(=O)c1c(O)c2c(cc1CCC)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.98
InChIKey:XIIXXGQLKBPMCZ-UHFFFAOYSA-N
ID: 45712
SMILES:C1(C)(C)Oc2c(cc(O)cc2)C2C1CC=C(CCC=C(C)C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.015
InChIKey:DKCAHZIFBAPYEC-UHFFFAOYSA-N
ID: 45713
SMILES:C1C(O)C(C)C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C=C(C)CCC3C(=C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.609
InChIKey:OYZYRYDTEOSMRF-UHFFFAOYSA-N
ID: 45714
SMILES:c1(O)cc(O)c2c(c1C(CCC=C(C)C)(C)C)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.681
InChIKey:YUAFYDROSCEVAD-UHFFFAOYSA-N
ID: 45715
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 45716
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C(Cl)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.864
CB1 binding score: -15.346
InChIKey:ZUFMBTJJXMHOBG-UHFFFAOYSA-N
ID: 45717
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.334
InChIKey:PVONXMJGOLYCMZ-UHFFFAOYSA-N