ID: 11845
SMILES:OC(=O)C1=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 272.344
CB1 binding score: -17.395
InChIKey:CMOGRLLHBIUICW-UHFFFAOYSA-N
ID: 11846
SMILES:C(C=C(C)C)CC(=O)C1C=CC(C)=CC1c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -13.157
InChIKey:ANSMAQWVNPOBKR-UHFFFAOYSA-N
ID: 11847
SMILES:C1(CO)(C)C(O)C(O)CC2(C)c3c(cccc3O)OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.401
CB1 binding score: -15.905
InChIKey:GAIUHSPPMQRYSK-UHFFFAOYSA-N
ID: 11848
SMILES:C1(CC23CC(C=C2)C(O)(C)COC3=O)Oc2c(c(O)cc(CCCCC)c2)CC1(C)C(=O)OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -16.187
InChIKey:JECYVNOZDJHNDC-UHFFFAOYSA-N
ID: 11849
SMILES:C1(C)=CCC(C(=C)C)C(c2c(CCCCC)cc(O)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.133
InChIKey:DMZFIVFXJMHHOS-UHFFFAOYSA-N
ID: 11850
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.881
InChIKey:NARKNZQTZXHZMI-UHFFFAOYSA-N
ID: 11851
SMILES:c1(CCCCCC)cc(O)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.929
InChIKey:OXPVLCXSEPKYAV-UHFFFAOYSA-N
ID: 11852
SMILES:C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C1C(C(C)C(=O)O1)C2)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.929
InChIKey:CPDFJUJNAYUXBW-UHFFFAOYSA-N
ID: 11853
SMILES:c1(C(=O)CCC=C)cc(O)c(C2C=C(C)CCC2C(C)(O)C)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -15.311
InChIKey:OFQWKUDIVNTVAM-UHFFFAOYSA-N
ID: 11854
SMILES:c1(CCc2ccc(O)cc2)cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 378.512
CB1 binding score: -16.298
InChIKey:PKWYGUWHIDUNCS-UHFFFAOYSA-N
ID: 11855
SMILES:c1(O)c(C(O)=O)c(CCCCC)cc2c3c(cc(O)c21)OC(C)(C)C1CCC(C)=CC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -15.729
InChIKey:VGNANEQTBFOUJL-UHFFFAOYSA-N
ID: 11856
SMILES:C(C(O)C=C(C)C)C(C)=CCc1c(O)cc(CCCCC)c(OC(=O)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.134
InChIKey:LARBZPIABYIZBZ-UHFFFAOYSA-N
ID: 11857
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 11858
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=C(CCC3C4(C)C(CC=C32)C(C)(C)C(O)CC4)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: Not available
InChIKey:XUJUUPUPACZVIX-UHFFFAOYSA-N
ID: 11859
SMILES:O=C(O)c1c(CCO)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.065
InChIKey:CTVDSTGTGKXHNC-UHFFFAOYSA-N
ID: 11860
SMILES:c1(C)ccc2c(c1)-c1c(cc(C)cc1O)OC2(CC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -14.505
InChIKey:APZNFPJVHNYIGU-UHFFFAOYSA-N
ID: 11861
SMILES:c1(C)cc(O)c2c(c1)OC1(C)OC(C)(C)C3C1(CC(C)C(O)C3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.949
InChIKey:OBDAZEZJQLVBCU-UHFFFAOYSA-N
ID: 11862
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(O2)C(C)(O)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 11863
SMILES:C(CC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:MNUBYOPTBHHAIM-UHFFFAOYSA-N
ID: 11864
SMILES:CC(C)CCCc1c2c(ccc1O)OC1(C)C(C2)C(C)(C)CCCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.11
InChIKey:JUQTVTLQDOEZBH-UHFFFAOYSA-N
ID: 11865
SMILES:CC(C)CCCC(=CCc1cc(O)cc2c1OC(=O)C2)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -11.425
InChIKey:SVSXEWYGZYJWJR-UHFFFAOYSA-N