ID: 65983
SMILES:c1(C2C=C(C)CCC2C(C)=C)ccc(CCC(O)=O)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.671
InChIKey:VNNNSKKZMJZEON-UHFFFAOYSA-N
ID: 65984
SMILES:C1(CC(O)C=C(C)C)(C)C=Cc2c(O)c(C(=O)O)c(CCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.39
InChIKey:QKKDAISEIYZSJO-UHFFFAOYSA-N
ID: 65985
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 65986
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 65987
SMILES:C(C=C(C)C)c1c(O)c(CC=C(C)C)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.268
InChIKey:ZVLQJRXSGVAHOI-UHFFFAOYSA-N
ID: 65988
SMILES:C1(C)(C)C2C(=O)C3(c4c(cc(CCC)cc4O)OC3)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.335
InChIKey:LUUMWPHJKBADCB-UHFFFAOYSA-N
ID: 65989
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C)C1(OC)CCC(C)(O)C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.078
InChIKey:ZQUJANNHKZETTO-UHFFFAOYSA-N
ID: 65990
SMILES:Oc1c2c(c(C(=O)C(C)C)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.605
InChIKey:RSCJFOIBFJPEAM-UHFFFAOYSA-N
ID: 65991
SMILES:C(CCC(c1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.428
InChIKey:SFSFZVZIYFWMRS-UHFFFAOYSA-N
ID: 65992
SMILES:C(CCC1C2(C)CC2c2c(O)cc(CCCCC)cc21)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -14.975
InChIKey:CXJIREZQQWDIRB-UHFFFAOYSA-N
ID: 65993
SMILES:CC(=CCCC(C)CCCC(=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 65994
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.978
InChIKey:CHBXMMKWGIOKEK-UHFFFAOYSA-N
ID: 65995
SMILES:C1(C)(C)Oc2cc(O)c(C(=O)C(CC)C)c3c2C2C(C(C)(C)C(C(=C)C)C2)CC1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: Not available
InChIKey:IBCUKJZMFYZHGI-UHFFFAOYSA-N
ID: 65996
SMILES:C1(C(O)=O)=CC2C(C=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.215
InChIKey:QSRYUYABYVKOKX-UHFFFAOYSA-N
ID: 65997
SMILES:C1(OC(=O)C(CO)=CC)C2C(c3c(cc(CCCCC)cc3O)OC2=O)C(C)CC1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -13.695
InChIKey:PYYMVGBHLCPDPE-UHFFFAOYSA-N
ID: 65998
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(COC)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.881
InChIKey:PQZMQHVIZFPKQU-UHFFFAOYSA-N
ID: 65999
SMILES:C1C(C(C)C)C(c2ccccc2O)CC(CCCCC)=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 300.486
CB1 binding score: -17.115
InChIKey:MZCSWZNYUMMCEN-UHFFFAOYSA-N
ID: 66000
SMILES:O=Cc1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -17.473
InChIKey:OFLCRIKFOANPMN-UHFFFAOYSA-N
ID: 66001
SMILES:C1C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C)CC(C)=C1c1c(O)ccc(C(=O)O)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.666
CB1 binding score: -14.616
InChIKey:CRVZBRDKMVXATA-UHFFFAOYSA-N
ID: 66002
SMILES:CC(=CC(=O)CC1(C)C(c2c(O)cc(CCCCC)cc2)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -12.769
InChIKey:UGFJTZSFYTUGFA-UHFFFAOYSA-N
ID: 66003
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N