ID: 44983
SMILES:c12cc(CCCCC)ccc1c1c(c(C(OC)=O)ccc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -15.344
InChIKey:WMPROMQOWXYYFA-UHFFFAOYSA-N
ID: 44984
SMILES:c1(O)c(O)cc(CC=C)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.211
InChIKey:RGIZIIUONDMTPG-UHFFFAOYSA-N
ID: 44985
SMILES:C1C2(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C1C(C)(CCC=C(C)C)C(=O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -16.281
InChIKey:VKASYIWNEKPCIR-UHFFFAOYSA-N
ID: 44986
SMILES:O=CC(=C)C1C(c2c(O)ccc(CCC(C)(C)O)c2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.257
InChIKey:ZXANLURAWLEBHK-UHFFFAOYSA-N
ID: 44987
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(CCC=C(C)C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.047
InChIKey:IPJUCVFYVXPSMP-UHFFFAOYSA-N
ID: 44988
SMILES:CC1(C)Oc2c(ccc(CCCCC)c2)C2C1C(O)C=C2CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.879
InChIKey:SCRZIWVECNMMOL-UHFFFAOYSA-N
ID: 44989
SMILES:c1(CCCC)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 44990
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 44991
SMILES:C=C1CCCC(C)=C(C(=O)C(C(C)C)=O)C(=O)C2=C(OC(C)(C)C3C2C1)C=CC(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.254
InChIKey:DDBLSEUTMFYMMQ-UHFFFAOYSA-N
ID: 44992
SMILES:C1CC(C)=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.029
InChIKey:DRELKNHUMCYENW-UHFFFAOYSA-N
ID: 44993
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 44994
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)CO)=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -17.072
InChIKey:KLXKIIDYBRDJAV-UHFFFAOYSA-N
ID: 44995
SMILES:O=CC1=C(C)C2C(C1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -15.434
InChIKey:JJKLQWQJRQNATA-UHFFFAOYSA-N
ID: 44996
SMILES:c1(OC)c(O)c2c(cc1C(C)C)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.879
InChIKey:NDEYTNKOCRMJPZ-UHFFFAOYSA-N
ID: 44997
SMILES:C1C2C(=CCC2(C)C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.278
InChIKey:VARFSNKZKQDOMB-UHFFFAOYSA-N
ID: 44998
SMILES:C1(C)(C)C2CCC(C(=O)OC)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.095
InChIKey:CBBOGKXHKUSCRF-UHFFFAOYSA-N
ID: 44999
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1=O)C(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.392
InChIKey:AJYZYBITDSHGAB-UHFFFAOYSA-N
ID: 45000
SMILES:CC(C=C1C2(CCCC2)Oc2c(c(O)cc(CCCCC)c2)C1O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.774
InChIKey:FHZCHGXIFQWGLT-UHFFFAOYSA-N
ID: 45001
SMILES:C(c1c(O)cc(CCC)cc1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 45002
SMILES:C(CCCC)c1cc2c(c(C(=O)C(CC)C)c1O)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -13.204
InChIKey:OAIKLIMTOGYBTJ-UHFFFAOYSA-N
ID: 45003
SMILES:c1c(O)c2c(cc1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.913
InChIKey:USHZBDBBZHEKPJ-UHFFFAOYSA-N