ID: 91561
SMILES:CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 91562
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.759
InChIKey:NIRSQPIJCAWYGX-UHFFFAOYSA-N
ID: 91563
SMILES:C=C(C)C1CCC(C)CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.57
InChIKey:LURPWARMGYBTPS-UHFFFAOYSA-N
ID: 91564
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 91565
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 91566
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.956
InChIKey:ZKWJTCFAAXQQLZ-UHFFFAOYSA-N
ID: 91567
SMILES:C=C(C(OC)=O)C1(O)CCC2(C)OC2C2c3c(cc(CCCCC)cc3O)OC2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.942
InChIKey:FELAJJBYVSYADW-UHFFFAOYSA-N
ID: 91568
SMILES:CC(=CCC(=O)C(C)=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.823
InChIKey:CSDROAQJRMFNPM-UHFFFAOYSA-N
ID: 91569
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 91570
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 91571
SMILES:C1=C(CCC=C(C)C)C(O)Oc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.963
InChIKey:JUYCATBMKWHKNN-UHFFFAOYSA-N
ID: 91572
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 91573
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.979
InChIKey:RPIAMKIGKMZKPE-UHFFFAOYSA-N
ID: 91574
SMILES:Oc1c(CC=C(CO)CCC=C(CC2CC(=O)C(C)(C)O2)C)cc(O)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.519
InChIKey:NJGCQJVAMMLEDV-UHFFFAOYSA-N
ID: 91575
SMILES:C12(C)CCC(C)=CC(c3c(O)cc(CCCCC)cc3O)C1C(C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.842
InChIKey:ZSTMGUQFEKEHDK-UHFFFAOYSA-N
ID: 91576
SMILES:CCCCCc1cc(O)c2cc1C(CCC=C(CO)CCC=C(C)C)C(=O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.98
InChIKey:AYTAMBZQZRFFEQ-UHFFFAOYSA-N
ID: 91577
SMILES:CCCCCc1c(O)cc2c(c1)OC(C)(C)C1=CCC3(C)OC3CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: Not available
InChIKey:RHEOTFWFVWPSKB-UHFFFAOYSA-N
ID: 91578
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.911
InChIKey:QEWYMRAJSWXRGM-UHFFFAOYSA-N
ID: 91579
SMILES:OC(C)(C)C1C2c3c(O)cc(CCCCC)cc3OC(C)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.856
InChIKey:JDYNZDBYXNRODJ-UHFFFAOYSA-N
ID: 91580
SMILES:CC1(C)C2CC=C(CO)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.929
InChIKey:MTNOJIDAGQXKHL-UHFFFAOYSA-N
ID: 91581
SMILES:c1(CCCCC)c(O)cc(CC=C(C)CCCC(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.481
InChIKey:QFEJUEYYFPQHSI-UHFFFAOYSA-N