ID: 112687
SMILES:C12(C)OC(C(C(C)C)=CC1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.502
InChIKey:ZMTHTOHOFFNPJB-UHFFFAOYSA-N
ID: 112688
SMILES:c12c(cccc1C)OC(C)(C)C1CCC3(C)OC(C(C(=O)C)=CC12)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.502
InChIKey:QXZFMQOIXFCLTH-UHFFFAOYSA-N
ID: 112689
SMILES:C1(O)=C2C(O)(CCC2C(C)=C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.65
InChIKey:QLNJUIATFPZSTN-UHFFFAOYSA-N
ID: 112690
SMILES:c1(CCCCC)cc(OC)c(O)c2c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -18.051
InChIKey:DERXBPBRVDHIRR-UHFFFAOYSA-N
ID: 112691
SMILES:OC(C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.98
InChIKey:YQYJXMHBFDUZBW-UHFFFAOYSA-N
ID: 112692
SMILES:O(C)c1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N
ID: 112693
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(=O)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.767
InChIKey:ZNSAXDFTLVIAHA-UHFFFAOYSA-N
ID: 112694
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 112695
SMILES:Oc1c(C(CC(C)C)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.439
InChIKey:MMBSMBBFKYDYEQ-UHFFFAOYSA-N
ID: 112696
SMILES:c1(C)cc2c(c(C)c1CCC)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 204.313
CB1 binding score: -12.894
InChIKey:BZXKGBSGMQIFNO-UHFFFAOYSA-N
ID: 112697
SMILES:CCC(C(O)=O)c1c(O)ccc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.358
InChIKey:LAAHCMBGASCAFN-UHFFFAOYSA-N
ID: 112698
SMILES:C1C2C(C(=C)CCC=C(C)C)CCC2(C)Oc2cc(CCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -13.47
InChIKey:BPSJIRCDAMWCRU-UHFFFAOYSA-N
ID: 112699
SMILES:OCC(CO)=C1CCC2(C)C1c1c(cc(CCCCC)cc1O)OC(C)(C)C(CC=O)C2C=COC(=O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.751
CB1 binding score: -15.769
InChIKey:MIEZVACQNLYAHT-UHFFFAOYSA-N
ID: 112700
SMILES:C12C3(CC(C(C)(C)C)CCC3(C)Oc3cc(O)c(C)c(O)c31)C(C)=CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.163
InChIKey:FPBINEHCVYIUAH-UHFFFAOYSA-N
ID: 112701
SMILES:C1CC(CCC=C(C(O)CC=C(C)C)C)(C)Oc2cc(CCc3ccccc3)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -16.7
InChIKey:NAPMFNIURWFFKZ-UHFFFAOYSA-N
ID: 112702
SMILES:Oc1cc(C)cc2c1C1C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.006
InChIKey:SUFPQJMELBBUPW-UHFFFAOYSA-N
ID: 112703
SMILES:C(C)(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.254
InChIKey:OUSVNSVSMXSSCG-UHFFFAOYSA-N
ID: 112704
SMILES:C(C1=CC(=O)C(C(=C)C)CC1O)CC(C)=CCc1c(O)cc(C)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -11.723
InChIKey:FPEKDTXESALBKF-UHFFFAOYSA-N
ID: 112705
SMILES:C(CCCC)c1cc(O)c(C2CC(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 112706
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.577
InChIKey:BBQUQOFZSYHTBC-UHFFFAOYSA-N
ID: 112707
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)ccc(CCN(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -17.957
InChIKey:JVTBDUWWCYUSCG-UHFFFAOYSA-N