ID: 55840
SMILES:C12C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC1(CCC=C(C)C)C)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.045
InChIKey:XQAHNNBUWUXPLJ-UHFFFAOYSA-N
ID: 55841
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(OC(C)=O)c(O)cc3C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -15.569
InChIKey:RHPDGDJEACUMKZ-UHFFFAOYSA-N
ID: 55842
SMILES:C1C(C)C2(Oc3c(C(=O)OC)c(CCCCC)cc(O)c32)C(C)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.559
InChIKey:LNCSEIZJINIFED-UHFFFAOYSA-N
ID: 55843
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1c2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 55844
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C1C(O)C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.588
InChIKey:NSFVUANSRXERBE-UHFFFAOYSA-N
ID: 55845
SMILES:C(Oc1cc(SC=O)cc(CCCCC)c1)C1CC(C)(C)OCC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.524
CB1 binding score: -14.664
InChIKey:NDSVOONYFNTGIJ-UHFFFAOYSA-N
ID: 55846
SMILES:OC1C(CO)OC(OC2CC(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C23)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.652
CB1 binding score: -13.232
InChIKey:IJDLAWZZFZOMAQ-UHFFFAOYSA-N
ID: 55847
SMILES:C1CC(C(C)CCC=C(C)C)CC2C1(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.471
InChIKey:PANULMUQYFWPKK-UHFFFAOYSA-N
ID: 55848
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3c(cc(O)cc3)C2C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.418
InChIKey:SMXZKMWKWSEZRU-UHFFFAOYSA-N
ID: 55849
SMILES:Oc1cc(CCCCC)cc2c3c(c12)OC(C(C)(C)O)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.788
InChIKey:YFAHMWHTOPPOAF-UHFFFAOYSA-N
ID: 55850
SMILES:C1=CC(O)(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.953
InChIKey:HADJSWSHLVGQQA-UHFFFAOYSA-N
ID: 55851
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C2(C)C(C1)C=C1C(C)(CCCC1(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.701
CB1 binding score: -15.078
InChIKey:HBOVOAZYYMXINE-UHFFFAOYSA-N
ID: 55852
SMILES:C(CC(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 55853
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 55854
SMILES:C(C(C)=CCCC1(C)CCc2c(-c3c(O)cccc3)cc(O)c3c2OC(C)(C)CCC31)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -15.609
InChIKey:KAWIXYOZVRYRAD-UHFFFAOYSA-N
ID: 55855
SMILES:C1(Cc2c(O)cc(CCCCC)cc2O)C(C)(O)CCC2C(C)(C)CCCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -16.777
InChIKey:NSLRLRLKYZPEPW-UHFFFAOYSA-N
ID: 55856
SMILES:C(C(CCC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)c(C)cc(O)c1)C)C)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -17.71
InChIKey:RVTCFWMYPVXAHE-UHFFFAOYSA-N
ID: 55857
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.702
InChIKey:IPHGLEABPOYHCX-UHFFFAOYSA-N
ID: 55858
SMILES:C(OC)(c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(C12)O3)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.83
InChIKey:ITRJDUIAQLFYJO-UHFFFAOYSA-N
ID: 55859
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 55860
SMILES:c1(CCCC)cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c2c1OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.788
InChIKey:TWELTNFNCKAKPP-UHFFFAOYSA-N