ID: 37780
SMILES:C(C(CCC=C(C)C)C)Cc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 362.51
CB1 binding score: -17.036
InChIKey:ZESRVAFEBICQQU-UHFFFAOYSA-N
ID: 37781
SMILES:C12C(c3c(cc(CCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 37782
SMILES:c1(CCCCC)c([O-])c(OC)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.486
CB1 binding score: -13.538
InChIKey:SPDKXACBGYULTM-UHFFFAOYSA-M
ID: 37783
SMILES:Oc1c2c(cc(C)c1)OC(C)(C)C1=C2CC(C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.799
InChIKey:CHYBNYAEBXKPBN-UHFFFAOYSA-N
ID: 37784
SMILES:c1(O)c2c(c(C(=O)C)c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.705
InChIKey:VQXQXDRRSYPKOW-UHFFFAOYSA-N
ID: 37785
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.89
InChIKey:IDRHKXASCVUDQM-UHFFFAOYSA-N
ID: 37786
SMILES:O(C)c1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 37787
SMILES:C(C1=CCCC(C)=CCOc2cc(O)c3c(c21)OC(C)(C)C=C3)CC(OC)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.05
InChIKey:LGLZZSCVPDGTJU-UHFFFAOYSA-N
ID: 37788
SMILES:C(C(C)(C)c1ccccc1)(C)C1CC=C(C)C1(C#CC(C)(C)O)C1C(C#C)(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.714
CB1 binding score: -14.144
InChIKey:MQHMLJWDWSGLRV-UHFFFAOYSA-N
ID: 37789
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 37790
SMILES:C1(=O)c2c(ccc(CCCCC)c2)OC(C(C)(CCC=C(C)C)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.025
InChIKey:BMPQMWVTDXUOQQ-UHFFFAOYSA-N
ID: 37791
SMILES:c1(C=O)c(O)c(CCCCC)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -11.389
InChIKey:FPILPMWVRBGYHT-UHFFFAOYSA-N
ID: 37792
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -17.512
InChIKey:MHSYVZRTKSNMPN-UHFFFAOYSA-N
ID: 37793
SMILES:c1c2c(cc(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 37794
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC1(C)C(O1)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.874
InChIKey:QSBYGYGKOPOUHB-UHFFFAOYSA-N
ID: 37795
SMILES:c1(CCCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 358.522
CB1 binding score: -16.913
InChIKey:AYWVKGJYCBPCNM-UHFFFAOYSA-N
ID: 37796
SMILES:O1c2cc(CCCCC)c(O)c(C(CCc3ccc(O)c(O)c3)=O)c2C2C(C(=C)C)CCC12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -12.32
InChIKey:JMQQZBGDIQTYRI-UHFFFAOYSA-N
ID: 37797
SMILES:Oc1cc(CC=C(C)C)cc(O)c1C1C(C(=C)C)CCC2(C)OC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.187
InChIKey:BTNKKPGBFRNINR-UHFFFAOYSA-N
ID: 37798
SMILES:Oc1c2c(c(Cl)c(O)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.778
CB1 binding score: -15.133
InChIKey:AUFRSNZDDRGXNY-UHFFFAOYSA-N
ID: 37799
SMILES:c12c(c(CCCCCCCC)ccc1)OC(C)(C)C1CCC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.54
CB1 binding score: -14.998
InChIKey:CLKDMBFGLZXQMG-UHFFFAOYSA-N
ID: 37800
SMILES:O=C1C(O)=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.013
InChIKey:ZCBJPOHGGCMWRC-UHFFFAOYSA-N