ID: 42757
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.774
InChIKey:PNYBXJZIYFTAAH-UHFFFAOYSA-N
ID: 42758
SMILES:C1(C)C2(C)CCC3C(C)(C)Oc4c(c(O)cc(C)c4)C3C2=CO1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.97
InChIKey:VPDMNVGGLAXZOR-UHFFFAOYSA-N
ID: 42759
SMILES:C1C(=O)C2(c3c(O)cc(CCCCC)cc31)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.763
InChIKey:JLQXNGGGWLNQIG-UHFFFAOYSA-N
ID: 42760
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 42761
SMILES:O1c2cc3c(c(O)c2C2C(CCC(C)=C2)C1(C)C)OC(C)(C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.527
InChIKey:NJRHMLONHCOJME-UHFFFAOYSA-N
ID: 42762
SMILES:C(=O)(c1c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(O2)C2C1C(O)C(C)(O)CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -11.742
InChIKey:SZYXBDQPWBXOLC-UHFFFAOYSA-N
ID: 42763
SMILES:c12c(c(CCC(C=CC(=C)C)C)c(C)cc1O)OCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.145
InChIKey:VUEVHDBSTNEIFC-UHFFFAOYSA-N
ID: 42764
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 42765
SMILES:C1(O)C(CC=CC(C)C)(C)Oc2cc(CCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -1.229
InChIKey:RSUYENOSZKMPLI-UHFFFAOYSA-N
ID: 42766
SMILES:C1=CC2(C)Oc3c(c(OC)cc(CCCCC)c3)C(O)C2C(CC=C(C)C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.916
InChIKey:SAERGGPBEGNAIZ-UHFFFAOYSA-N
ID: 42767
SMILES:Oc1cc(O)c2c(c1CCCCC)OC(C)(C)C1C2=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.071
InChIKey:SJEHIPNSWPERHD-UHFFFAOYSA-N
ID: 42768
SMILES:c12c(OC)cc(CCCCC)cc1OC(C)(C)C1(O)C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.078
InChIKey:YXOQJUCNMJBKGE-UHFFFAOYSA-N
ID: 42769
SMILES:C(C)(C)=CCCC(C)=CCc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -16.976
InChIKey:KUQFQMZLGYOTDL-UHFFFAOYSA-N
ID: 42770
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(OC)cc(C)c3C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.152
InChIKey:XCYQOFXPEWTXIB-UHFFFAOYSA-N
ID: 42771
SMILES:C(=C(C)CCC=C(C)C)Cc1cc(O)c(CC#C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.725
InChIKey:QDQDHIZJXFILPO-UHFFFAOYSA-N
ID: 42772
SMILES:OC(=O)c1c(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -19.381
InChIKey:ZGUWKQMGZPIDQH-UHFFFAOYSA-N
ID: 42773
SMILES:C1(C(=C)C)CCC(C)(C=C)Oc2c(c(O)cc(CCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.502
InChIKey:ZMRXAFUHHKAHDK-UHFFFAOYSA-N
ID: 42774
SMILES:C1CCC2(C)C(CC3C(C)(C)Oc4c3c(O)cc(CCCCC)c4)C(C(O)(C)CC2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.656
CB1 binding score: -14.45
InChIKey:IKLQRMKYSMRJOV-UHFFFAOYSA-N
ID: 42775
SMILES:C(CCCCC)Cc1cccc2c1OC1(C)CCC3C(C)(C)CC3C1=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -13.951
InChIKey:JNJHHCZQJJPNRV-UHFFFAOYSA-N
ID: 42776
SMILES:CC1(C)C(CCC(C)=CCc2c(OC(=O)C)cc(CCCCC)c(O)c2)=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -13.863
InChIKey:ASOUCNDLKAJTSZ-UHFFFAOYSA-N
ID: 42777
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)N=C(O)c1ccccc1NC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.59
CB1 binding score: -14.232
InChIKey:XULPBTMNMSTPOZ-UHFFFAOYSA-N