ID: 94627
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1)CN=C(N)N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 363.458
CB1 binding score: -14.309
InChIKey:CPNGXLRUZPKMFK-UHFFFAOYSA-N
ID: 94628
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94629
SMILES:Oc1cc(C)c(OCCCC)c(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.065
InChIKey:LRSXGHVAPGGTMY-UHFFFAOYSA-N
ID: 94630
SMILES:C12=C(c3c(cc(CCCC)cc3O)OC1(C)C)C(C)CC(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.698
InChIKey:MBHWYFYWZCGJPI-UHFFFAOYSA-N
ID: 94631
SMILES:C=C(C)C1CCC(C)=CC1c1c(OC)ccc(CC[N+](O)(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 94632
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.15
InChIKey:FXRYFSBEEDYORZ-UHFFFAOYSA-N
ID: 94633
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 94634
SMILES:C=C1CC2C(C(C)(C)Oc3cc(CCCCCO)cc(OC)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.024
InChIKey:FDFKXWBCOUDWDT-UHFFFAOYSA-N
ID: 94635
SMILES:C1C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.556
InChIKey:ADTDKLWPXAADOC-UHFFFAOYSA-N
ID: 94636
SMILES:O(c1cc(CCCCC)cc(O)c1CC=C(C)CCC=C(CCC=C(C)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 94637
SMILES:CC(=O)Oc1cc(CC=C(C)CCC=C(C)C)c(O)c2c1C1C3C(C(C)(C)O2)CCC(C)(O1)CCC=C3C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.726
CB1 binding score: -15.522
InChIKey:OMTONKSUQORDSU-UHFFFAOYSA-N
ID: 94638
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)CCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.673
CB1 binding score: -15.519
InChIKey:RGPBUHZPWNPWDY-UHFFFAOYSA-N
ID: 94639
SMILES:c1(CCC=C)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.724
InChIKey:NWHTZFJTCPSMLW-UHFFFAOYSA-N
ID: 94640
SMILES:C12C=C(C)CCC1(O)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.18
InChIKey:YPSZDRXOKFCOHL-UHFFFAOYSA-N
ID: 94641
SMILES:C(CO)(=C)C1C(c2c(O)cc(C)cc2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.088
InChIKey:AYVWQMONRVHCCH-UHFFFAOYSA-N
ID: 94642
SMILES:c1c(CC(OCCCC)OC(=O)C=Cc2ccc(O)c3c2OC(C)(C)C3CCC(O)(C=C)C)cccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -15.998
InChIKey:GAVIZZUPIKFWQC-UHFFFAOYSA-N
ID: 94643
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 94644
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C2C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 94645
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1(O)C(OC(=O)C)C(C(C)(C)O)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.518
CB1 binding score: -14.901
InChIKey:MNUWVWJBWSMACL-UHFFFAOYSA-N
ID: 94646
SMILES:O=Cc1c(O)c2c(cc1CCCCC)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.98
InChIKey:HKQTWYXNIOJLSJ-UHFFFAOYSA-N
ID: 94647
SMILES:C(CCCCCCCC)Cc1cc2c(c(O)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.227
InChIKey:YZAIYXRXJLOSHR-UHFFFAOYSA-N