ID: 55819
SMILES:CC1=CC(c2c(O)ccc(CC[N+](=O)O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.394
CB1 binding score: -16.131
InChIKey:LIIZTOVNFXHCOQ-UHFFFAOYSA-O
ID: 55820
SMILES:c1c(O)cc(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.81
InChIKey:RLNFSWIFLYYPPU-UHFFFAOYSA-N
ID: 55821
SMILES:C1C(C)(C=C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.532
InChIKey:IESGZLOCBZTJME-UHFFFAOYSA-N
ID: 55822
SMILES:C1(Cl)CC(C2(C)CCC(Br)C(C)(C)O2)C(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 489.878
CB1 binding score: -13.664
InChIKey:SNGFFMZXMMBSQC-UHFFFAOYSA-N
ID: 55823
SMILES:C(C(C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.577
InChIKey:AHZSXIIZDWGECM-UHFFFAOYSA-N
ID: 55824
SMILES:C1CC(C)(C=CC=C(C)C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.605
InChIKey:UXBHQONURSZFPW-UHFFFAOYSA-N
ID: 55825
SMILES:C1(C)(C)C2C3(C)C(c4c(cc(CCCCC)cc4O)OC3)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.358
InChIKey:UTMYNXFUYUSBOY-UHFFFAOYSA-N
ID: 55826
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C=C(C)C)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.293
InChIKey:YWWNXERPZHMYBW-UHFFFAOYSA-N
ID: 55827
SMILES:c1(OC)c(C(OC)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -15.348
InChIKey:AEZQLJQSBWXBLQ-UHFFFAOYSA-N
ID: 55828
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 55829
SMILES:C1(C(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 55830
SMILES:C(CCCC)c1ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.467
InChIKey:TVERKJMGSVKUPT-UHFFFAOYSA-N
ID: 55831
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 55832
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 55833
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C(O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.8
InChIKey:YUHHNTLIBZRWFO-UHFFFAOYSA-N
ID: 55834
SMILES:C1(=O)OC2C(C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C=C2C3OC3(C)CC2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.573
CB1 binding score: -15.929
InChIKey:RGGMZJGTOIVIDY-UHFFFAOYSA-N
ID: 55835
SMILES:C1=C(C(=O)C)C2=C(C(=O)C1(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.949
InChIKey:SYWFFALDHLTXSJ-UHFFFAOYSA-N
ID: 55836
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)c(CCCCC)c(C=O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -16.5
InChIKey:CZWAQCGRUPEODQ-UHFFFAOYSA-N
ID: 55837
SMILES:COc1c(O)c2c(cc1-c1c(O)cccc1)OC(C)(C)C1(O)CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -15.689
InChIKey:FFKISZMRFPTOKI-UHFFFAOYSA-N
ID: 55838
SMILES:Oc1cc(CCCCC)cc2c1C1(O2)C2C(C(C)CC2C=C(C)C)C(=O)C(C(CC)C)=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -16.161
InChIKey:RDLKALJOJRMITK-UHFFFAOYSA-N
ID: 55839
SMILES:C=C(C)C1C(c2cc(CCC=C(C)C)ccc2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.482
CB1 binding score: -16.438
InChIKey:FYWONNZNEAPXMI-UHFFFAOYSA-N