ID: 85996
SMILES:c1(O)c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -19.298
InChIKey:MQXCBGKFCUXOIM-UHFFFAOYSA-N
ID: 85997
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N
ID: 85998
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.318
InChIKey:SICHBRWOBOMQIT-UHFFFAOYSA-N
ID: 85999
SMILES:C12C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 86000
SMILES:CC(CC(C)OCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.309
InChIKey:KGFLPPZZUWVIPY-UHFFFAOYSA-N
ID: 86001
SMILES:C1(C)=CC(c2c(O)cc(CCc3ccccc3)cc2O)OC(C)(C)C1CC(O)C1(C)OC(C)(C)C(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -15.571
InChIKey:SXHFPKGFGCHTGW-UHFFFAOYSA-N
ID: 86002
SMILES:CC1=C2C(C(CO)(C)Oc3c2c(O)cc(CCCCC)c3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.46
InChIKey:GFLMGRCYVHGRGW-UHFFFAOYSA-N
ID: 86003
SMILES:C(C)(C)CCCC1(C)C2C(C)(Oc3c(c(O)cc(CCCCCC)c3O)C2)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.646
CB1 binding score: -12.566
InChIKey:UQOTUZXKZYRFIQ-UHFFFAOYSA-N
ID: 86004
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1O)CCC(C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.138
InChIKey:XSUWPALFGYGZCJ-UHFFFAOYSA-N
ID: 86005
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C(C(C)(O)CC2)CC(OC(=O)C)C(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -17.042
InChIKey:HMXHPEDNUOCFQT-UHFFFAOYSA-N
ID: 86006
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C2CC=C(C)C)CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 436.68
CB1 binding score: -15.929
InChIKey:FANLYSSVLMZGCT-UHFFFAOYSA-N
ID: 86007
SMILES:C(c1c(OC)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.079
InChIKey:ZJODNLFTTQFARX-UHFFFAOYSA-N
ID: 86008
SMILES:O1c2c(c(OC)cc(CCNC(CC(C)(CC(=O)O)C)=O)c2)C2C(CCC(C)=C2)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 429.557
CB1 binding score: -13.909
InChIKey:RYJMPNNYIYFQDW-UHFFFAOYSA-N
ID: 86009
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C(O)(C(=C)CCC3C(C)CCC1C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -11.457
InChIKey:RHAKROFAYIWKKS-UHFFFAOYSA-N
ID: 86010
SMILES:c1(C)c(OC)cc(OC(C)=O)c2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.178
InChIKey:HQSMNPRHWNCTPO-UHFFFAOYSA-N
ID: 86011
SMILES:O=C(O)CCC(=O)OCC1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -14.279
InChIKey:XFCHCSLQTGGCEH-UHFFFAOYSA-N
ID: 86012
SMILES:COc1c(O)c(Cl)c(O)c2c(=O)cc3c(cc12)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.874
CB1 binding score: -13.731
InChIKey:FSKQXXOSGVJAMW-UHFFFAOYSA-N
ID: 86013
SMILES:Oc1c(C(CC(C)C)=O)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.051
InChIKey:REAKWCAABJGCRO-UHFFFAOYSA-N
ID: 86014
SMILES:C(CC)CCc1cc(O)c(CC=C(C)C)c(O)c1C(O)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 86015
SMILES:c1(CC2=C(O)C(CC=C(CCC=C(C)C)C)(CC=C(C)C)Oc3c2cccc3)cc(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.641
CB1 binding score: -14.922
InChIKey:BBZNDLQGZRKLLU-UHFFFAOYSA-N
ID: 86016
SMILES:c12c(cc(C(=O)OC3(C)C4CC5(C(C)C)[CH]C4C3(C)O5)cc1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 517.686
CB1 binding score: -16.59
InChIKey:NHTJAZDSBKTVNE-UHFFFAOYSA-N