ID: 112960
SMILES:C1CC(C(C)=C)C(c2c(O)c(C(CC(C)C)=O)c(O)cc2O)C=C1CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -12.626
InChIKey:MBXANUNCGQJWEW-UHFFFAOYSA-N
ID: 112961
SMILES:C12C(C(C)CC1)C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.379
InChIKey:GCMHCZIYUPDELJ-UHFFFAOYSA-N
ID: 112962
SMILES:C=C1CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.749
InChIKey:YEWGNGQLEXFOTA-UHFFFAOYSA-N
ID: 112963
SMILES:C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CCC1(C1(O)CC(Br)C(C)(O)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 523.552
CB1 binding score: -16.082
InChIKey:VEKWGDBBKPLDNI-UHFFFAOYSA-N
ID: 112964
SMILES:c1(C)c(O)cc(CCCCC)cc1-c1c(C)cc(O)c(C2(C)C3(C)C(C2)C3)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.115
InChIKey:QYAYIEZDEDQLLA-UHFFFAOYSA-N
ID: 112965
SMILES:Oc1c(C=CC(O)(CCCC(C)=C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 332.484
CB1 binding score: -15.929
InChIKey:SXOKWPXOIGTELB-UHFFFAOYSA-N
ID: 112966
SMILES:C12CCC3(C(O)(C(C)(C1)Oc1cc(CCCCC)cc(O)c13)C)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.887
InChIKey:NTRZHBCUBQCBQS-UHFFFAOYSA-N
ID: 112967
SMILES:CC1=CC(c2c(O)cc(C)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 112968
SMILES:C12C3OC(CCC3(C)C1(C)C)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.369
InChIKey:HGINFEMCMLBUEL-UHFFFAOYSA-N
ID: 112969
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 112970
SMILES:C(CC(=CCc1c(O)cc(CCC)cc1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 112971
SMILES:O(C(C(CC(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC1)(C)CC2)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -17.381
InChIKey:RMNROEIKGKJJIG-UHFFFAOYSA-N
ID: 112972
SMILES:C(CCC)CCc1cc(OC)c(O)c2c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -15.298
InChIKey:YEHFHSOYAFEHGA-UHFFFAOYSA-N
ID: 112973
SMILES:C1c2c3c(cc(CCCCC)c2)OC(CCCC1(C)C)(c1c(O)cc(C)cc1)C(OCC)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -11.327
InChIKey:CIPZBEPZQRFSIX-UHFFFAOYSA-N
ID: 112974
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 112975
SMILES:CC1(C)Oc2c(cc(OC)c(O)c2)C2C=C(C)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.112
InChIKey:OTSLLDNPLNAKHW-UHFFFAOYSA-N
ID: 112976
SMILES:C(C(C)O)(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.827
InChIKey:ZFJATAAVELRGMX-UHFFFAOYSA-N
ID: 112977
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112978
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 112979
SMILES:C(c1c2c(ccc1O)OC1(C)C=CC(C(C)C)=CC12)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.607
InChIKey:JZAZPSXTJPADJL-UHFFFAOYSA-N
ID: 112980
SMILES:C12(C)C3C(C1C(C)CC3)C(C)(CO)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.161
InChIKey:ZXMHGJWJQNBAAU-UHFFFAOYSA-N