ID: 40951
SMILES:CC(C)C1C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.583
InChIKey:BPCSQTQTIGSQEK-UHFFFAOYSA-N
ID: 40952
SMILES:C1(C)=C(CCC(C)CC)C2(C)C(C(C)(C)OC(=O)C=C2)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.929
InChIKey:CZCXWHCSIUSLRP-UHFFFAOYSA-N
ID: 40953
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)-c2c(ccc(O)c2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.569
InChIKey:WPHZKCRLWGIISG-UHFFFAOYSA-N
ID: 40954
SMILES:C1C=C(C)CC2C1C(C)(C)Oc1c2ccc(O)c1C(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.206
InChIKey:VRVXZQXWQKUOMK-UHFFFAOYSA-N
ID: 40955
SMILES:C(CCCCC)c1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.354
InChIKey:LOTJAJIHOKJTOT-UHFFFAOYSA-N
ID: 40956
SMILES:CCCCc1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C(O)=O)=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.552
InChIKey:IUDFFZLIAPRTIA-UHFFFAOYSA-N
ID: 40957
SMILES:C1(O)C2(C(C)(O)C)CCC(C)(O)C13c1c(cc(CCC)cc1O)OC2(C)CO3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -12.443
InChIKey:KJLFSOMJYXZQHO-UHFFFAOYSA-N
ID: 40958
SMILES:C1C(C)CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)(CCC=C(C)C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -16.457
InChIKey:VFXVRVUWLMHTHG-UHFFFAOYSA-N
ID: 40959
SMILES:c1c2c(cc(C)c1)OC(CCC=C(Cc1cc(OC)c(O)cc1)C(C)(C)O2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.15
InChIKey:IZONWLIHQNKGHI-UHFFFAOYSA-N
ID: 40960
SMILES:C1C(Cl)C(C)(C)Oc2c1c(O)cc(CCCCC)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.81
CB1 binding score: -14.467
InChIKey:DSEOYUXHEASVSK-UHFFFAOYSA-N
ID: 40961
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 40962
SMILES:C1C(Cc2c(O)cc(CCCCC)cc2)C(=C)CCC1C(CO)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.007
InChIKey:GWCZCGPAAVAAMP-UHFFFAOYSA-N
ID: 40963
SMILES:O(c1c(O)cc(CCc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)cc1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.369
InChIKey:YZFVXYSRIJVWQB-UHFFFAOYSA-N
ID: 40964
SMILES:C(CC(c1c(O)c(C(C(CC)CC)C(O)=O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -15.749
InChIKey:ATSKXWQZLFDPHR-UHFFFAOYSA-N
ID: 40965
SMILES:C(C=C(C)C)c1c(O)c(C=O)c(CCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.95
InChIKey:GCQNVWNITXBCMN-UHFFFAOYSA-N
ID: 40966
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C2=C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.792
InChIKey:UUXYOALMUDTWNN-UHFFFAOYSA-N
ID: 40967
SMILES:c1(CCCC)c(C)cc(O)c2c1OC(C)(C)C1=CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.214
InChIKey:QAOXVLJJZWVSFA-UHFFFAOYSA-N
ID: 40968
SMILES:OC12CC=C(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.016
InChIKey:DYJVRFKTUHQJIG-UHFFFAOYSA-N
ID: 40969
SMILES:C1C(C(=C)C)C(c2c(OC)ccc(CC[N+](O)(C)C)c2)C=C(C)C1OC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.528
CB1 binding score: -15.072
InChIKey:MJFMSPCQJQENRZ-UHFFFAOYSA-N
ID: 40970
SMILES:c12c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 40971
SMILES:c12c(OC)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.275
InChIKey:GGMMPFULTPWSKM-UHFFFAOYSA-N