ID: 85072
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.376
InChIKey:AAZSXXIEAYXFSH-UHFFFAOYSA-N
ID: 85073
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)ccc(CCC(O)CC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.522
InChIKey:POWZRHBPWYRZBX-UHFFFAOYSA-N
ID: 85074
SMILES:C1c2c(O)cc(CCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.196
InChIKey:DFJQDSHPYZAGQZ-UHFFFAOYSA-N
ID: 85075
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 85076
SMILES:C(C(=O)OC1CC(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC2C1(C)C2(C)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -14.626
InChIKey:IXDMLOSYPVHMSN-UHFFFAOYSA-N
ID: 85077
SMILES:C1(CCCC(C)C)(C)Oc2c(c(O)cc(COC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -13.662
InChIKey:XQCNHQCTVNPKHP-UHFFFAOYSA-N
ID: 85078
SMILES:C(C)(C)=CC(CC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.306
InChIKey:LHTKYHCIRQXWCB-UHFFFAOYSA-N
ID: 85079
SMILES:C(CCC)CCc1cc2c(c(OC)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.056
InChIKey:VYOOXLYVKNLAFA-UHFFFAOYSA-N
ID: 85080
SMILES:C12CCC(C)=CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 85081
SMILES:C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 85082
SMILES:C1(C(C)CCCOc2c(O)c(O)cc(CCCCC)c2)C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.677
InChIKey:JNKAIXYBKKTKAZ-UHFFFAOYSA-N
ID: 85083
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 85084
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)C1C2CC(C(=O)OC)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.502
InChIKey:ALRBHTFNNMEPDV-UHFFFAOYSA-N
ID: 85085
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 85086
SMILES:c1cc2c(cc1O)OC(C)(C)C1C2CC(C)(O)C1C=CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.764
InChIKey:WIKYNEGNOLVXLG-UHFFFAOYSA-N
ID: 85087
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21)CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.623
InChIKey:KTLGIEJEYWUAQR-UHFFFAOYSA-N
ID: 85088
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(=O)C(C)C2CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.99
InChIKey:ZQMGEHJRXIXMKE-UHFFFAOYSA-N
ID: 85089
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O)CCC(CCC1C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.559
InChIKey:RVPDXXXCPMXMSN-UHFFFAOYSA-N
ID: 85090
SMILES:c1(CC=C)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.929
InChIKey:QXBCLKVGBHQKKD-UHFFFAOYSA-N
ID: 85091
SMILES:c1c(CCOC(=O)C=CC)cc(O)c(C2C=C(C)CC(C)(O)C2CCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.731
InChIKey:NKWJNPUSRUHJRA-UHFFFAOYSA-N
ID: 85092
SMILES:C(CCCCCCCCCCC)CCc1cc(OC)c2c(c1C)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.766
CB1 binding score: -12.725
InChIKey:KBEFUSKIRYFJSF-UHFFFAOYSA-N