ID: 91813
SMILES:CC(C)C(c1cc(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(CCC=C(C)C)C)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -14.72
InChIKey:NZZNDNUCHAIMMM-UHFFFAOYSA-N
ID: 91814
SMILES:C(C(C)=Cc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.929
InChIKey:ZACVGCOLHCAIKV-UHFFFAOYSA-N
ID: 91815
SMILES:C(C(C)C)C1C(C)(C)Oc2cc(CCc3ccccc3)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.521
InChIKey:YQDBRWTYZXUSBS-UHFFFAOYSA-N
ID: 91816
SMILES:c1c(O)c(C(=O)C(CC)C)cc(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.718
InChIKey:NSDSUOVJVWHEDK-UHFFFAOYSA-N
ID: 91817
SMILES:c1(O)cc2c(c(CCCC)c1)C1C(C(C)(C)O2)CC(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -14.746
InChIKey:QEHRWYNLMDQRBV-UHFFFAOYSA-N
ID: 91818
SMILES:C12C(c3c(OC)cc(CCCCC)cc3OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 91819
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)CCCC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.189
InChIKey:NYRYJPVIDWTJGB-UHFFFAOYSA-N
ID: 91820
SMILES:c1(O)cc(CCCCC)c(O)c2c1-c1cc(O)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 398.543
CB1 binding score: -15.452
InChIKey:DXNGXFHPYCARMU-UHFFFAOYSA-N
ID: 91821
SMILES:C(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 91822
SMILES:c1(OC)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.112
InChIKey:OTSLLDNPLNAKHW-UHFFFAOYSA-N
ID: 91823
SMILES:C(=C)(C1CCC(C)=CC1c1c(O)cc(CCS(=O)(=O)O)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.453
CB1 binding score: -15.273
InChIKey:NCIUAAWMXSBAQW-UHFFFAOYSA-N
ID: 91824
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.825
InChIKey:ZOQOWBOVOPMLPU-UHFFFAOYSA-N
ID: 91825
SMILES:O1C(C)(C)C2CCC1(C)c1c(c(Br)c(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 383.326
CB1 binding score: -15.675
InChIKey:NPNHLNUDGCQZCN-UHFFFAOYSA-N
ID: 91826
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 91827
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 91828
SMILES:C(C(CCc1cc(OC)cc(O)c1)(C)O)=CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.427
InChIKey:XKMLEFVNVWKPNE-UHFFFAOYSA-N
ID: 91829
SMILES:C1(CC(C)C)c2c(cc(OC)cc2C)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -13.842
InChIKey:NMLSHEOIWDUBAU-UHFFFAOYSA-N
ID: 91830
SMILES:c1c(CCCC)cc(OC)c(C2C(C(C)=C)CCC(C)C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.852
InChIKey:JMFRZRDZKDDBDR-UHFFFAOYSA-N
ID: 91831
SMILES:Oc1cc(CCC)cc(O)c1CC=C(C)CCC=C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.748
InChIKey:UHRCXKCSCBRZGD-UHFFFAOYSA-N
ID: 91832
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 91833
SMILES:CC1(CCC=C(C)C)C(Cc2c(OC)cc(CCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.427
InChIKey:WMFDNKUZKZBSNS-UHFFFAOYSA-N