ID: 112729
SMILES:C1C(=O)CC(C)(C)C12Oc1cc(CCCCCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.01
InChIKey:JFYXGKOQTLXNCQ-UHFFFAOYSA-N
ID: 112730
SMILES:C(Cc1c(OC)c(CC=C(C)C)c(O)c(C2C=C(C)CCC2C(C)=C)c1O)(=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.325
InChIKey:JRBCDLDKHAJJKX-UHFFFAOYSA-N
ID: 112731
SMILES:NC(c1c(O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 303.402
CB1 binding score: -14.856
InChIKey:QXKIMDYVQMXXST-UHFFFAOYSA-N
ID: 112732
SMILES:C1(O)C(O)C(Oc2cc3c(c(C)c2)OC(C)(C)C2CCC(C)=CC32)OC(CO)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -15.088
InChIKey:DTQZWNVTHVAHRH-UHFFFAOYSA-N
ID: 112733
SMILES:CC(C1Oc2cc(CCCCC)cc(O)c2C2C(C(O)(C)CCC3OC(C(C)(O)C)CC=C(C)C23)CO1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.746
CB1 binding score: -15.213
InChIKey:LRSWDAONWRBRGR-UHFFFAOYSA-N
ID: 112734
SMILES:c1cc(COc2c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c2)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -15.439
InChIKey:FFYAYNQNLSOVKT-UHFFFAOYSA-N
ID: 112735
SMILES:CC(CCC=C(C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 112736
SMILES:O1C(C)(C)C(O)CC1C(=CCOc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.491
CB1 binding score: -16.836
InChIKey:IQQRWMPZFJECDY-UHFFFAOYSA-N
ID: 112737
SMILES:C1(C)=C2C(CC(C)=CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.873
InChIKey:JTLKICNTVZKRHB-UHFFFAOYSA-N
ID: 112738
SMILES:C(C1CCC(C)(O)C2Oc3c(O)cc(CCCCC)cc3OC21C)(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.438
InChIKey:OSWBDBVHQBCQFC-UHFFFAOYSA-N
ID: 112739
SMILES:c1(O)cc(Br)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -17.342
InChIKey:NXKAKZZDJLSBSI-UHFFFAOYSA-N
ID: 112740
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 112741
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 112742
SMILES:C1C(c2cnc(O)c(O)c2)C(Cc2cc(O)c3c(c2)OC(C)(C)C2C3C=C(CO)C(O)C2)CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 481.545
CB1 binding score: -13.237
InChIKey:URNJZIDMQUBWTF-UHFFFAOYSA-N
ID: 112743
SMILES:C(c1cc(O)cc2c1C=CC(C)(CCC=C(C)C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.346
InChIKey:HEMDLXQOBBVCAW-UHFFFAOYSA-N
ID: 112744
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CO)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.677
InChIKey:JMXDUXNWMGQHDK-UHFFFAOYSA-N
ID: 112745
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(CCC(=O)C)C(C)CC1=O)C(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.372
InChIKey:DEFPWCXNWJYJIY-UHFFFAOYSA-N
ID: 112746
SMILES:C1C(C(CO)=C)Cc2c(O)cc(CCCCC)c(C(=O)O)c2OC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -16.398
InChIKey:XMCDDPWNHREMMD-UHFFFAOYSA-N
ID: 112747
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc1OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -17.295
InChIKey:MBPIISYVNBTULO-UHFFFAOYSA-N
ID: 112748
SMILES:c12c(c(O)cc(CCCCC)c1)C(=O)C1(O2)C(C)COC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -15.466
InChIKey:KXNGDLIYYMAIFI-UHFFFAOYSA-N
ID: 112749
SMILES:C(C)(C(C(c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)C(=O)C1)=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.493
InChIKey:SUSZGAQITAQGRJ-UHFFFAOYSA-N