ID: 48973
SMILES:C(=C(C)C)C(Oc1cc(CCCCC)ccc1C1(C)CC(=O)C(C(C)(O)C)O1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.62
InChIKey:VUVQYHLZTJVAPC-UHFFFAOYSA-N
ID: 48974
SMILES:CC1=CC2c3c(O)cc(CCCC[N+](C)(C)C)c(O)c3OC(C)(C2)C2CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.529
CB1 binding score: -15.929
InChIKey:RHVUNBPGQUYLPW-UHFFFAOYSA-O
ID: 48975
SMILES:C1C=C(C)CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 48976
SMILES:c1(C(CC(C)C)C2C=C(C)CCC2C(=C)C)c(OC)c(OC)cc(CCC(OC(=O)CCCCCCCCC)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.883
CB1 binding score: -13.709
InChIKey:HRDTWXJCHOOLMP-UHFFFAOYSA-N
ID: 48977
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C(O)(C)C)CCC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.22
InChIKey:NFTGRUPTSSAWAZ-UHFFFAOYSA-N
ID: 48978
SMILES:CC1(C)C2CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3C(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.033
InChIKey:QSXIJKXNKNDNAL-UHFFFAOYSA-N
ID: 48979
SMILES:C12(Br)C(C)(C)C(Cl)C(O)CC1(C)Oc1c(c(O)cc(CCCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 459.852
CB1 binding score: -14.208
InChIKey:FWCJQYQUTDMURA-UHFFFAOYSA-N
ID: 48980
SMILES:C1C(C)=CCCC(C)(O)C2OC1C(C)(C)Oc1c2ccc(O)c1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.56
InChIKey:BIHMHJKPJXFELC-UHFFFAOYSA-N
ID: 48981
SMILES:c1c(O)c(CC=C(C)C(=O)OC)cc(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.673
InChIKey:AXLALHGPTKUQLE-UHFFFAOYSA-N
ID: 48982
SMILES:C1=C(C)CCC(C(C)C)CC=C(CO)CC1c1cc(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: Not available
InChIKey:DJYZJEDPJAEFPH-UHFFFAOYSA-N
ID: 48983
SMILES:C1(=O)C2=CCCC34C(c5ccccc5)C3c3c(O)cc(CCCCC)cc3OC4C2(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.691
CB1 binding score: -15.046
InChIKey:XXDYGJIOSZGEAC-UHFFFAOYSA-N
ID: 48984
SMILES:C(c1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.19
InChIKey:JLDQAMHHOUWHJX-UHFFFAOYSA-N
ID: 48985
SMILES:COc1cc(CC)cc2c1OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.039
InChIKey:MKSYTMHUJDWUJW-UHFFFAOYSA-N
ID: 48986
SMILES:Oc1c(OC)c(C)c(C=C2C(C)=CC(C)=CC3(C)Oc4c(c(O)cc(CCCCC)c4)C3C2C(C)CO)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -17.552
InChIKey:CMJBNEMWHPPIDT-UHFFFAOYSA-N
ID: 48987
SMILES:C1C=C(C)CCC(OC(=O)C)C(C)(C)Oc2cc(CCCCC)cc(OC(C)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.22
InChIKey:VXAPJHBIFFMATQ-UHFFFAOYSA-N
ID: 48988
SMILES:C(Cc1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.477
InChIKey:QLUGJXOCTAFDMA-UHFFFAOYSA-N
ID: 48989
SMILES:c1c(CCCCC)cc2c(c1O)OC1(C)CC(O)C(C)(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.015
InChIKey:WGJHQMKMTQVFMC-UHFFFAOYSA-N
ID: 48990
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 48991
SMILES:c1(O)c(CCCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.228
InChIKey:FUQHROSWZPWPFR-UHFFFAOYSA-N
ID: 48992
SMILES:C(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C=C(C(CC=C(C)C)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -16.998
InChIKey:GGGDTJBLCOABLF-UHFFFAOYSA-N
ID: 48993
SMILES:C12=CC(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N