ID: 77995
SMILES:c1(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 77996
SMILES:C1=CC23c4c(O)cc(CCCCC)cc4OC(CC12)C(C)=CCC3C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -12.394
InChIKey:ICDJXIDJTZCMDJ-UHFFFAOYSA-N
ID: 77997
SMILES:c12c(c(CCCCCC)cc(O)c1)OC1(C)CC(O)C3OC3(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.772
InChIKey:AXWFXWVXWJWXBU-UHFFFAOYSA-N
ID: 77998
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77999
SMILES:CC1(CCC=C(C)C)Oc2cc(O)cc(O)c2C2C=C(CCC=C(C)C)C(=O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.156
InChIKey:JEOSWKIUDMVWFN-UHFFFAOYSA-N
ID: 78000
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(CO)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.359
InChIKey:OHHIQRXZLJGZOJ-UHFFFAOYSA-N
ID: 78001
SMILES:c1c2c(cc(C)c1)OC(c1c(O)cc(CCCCC)c(C3(C)CCC(C(O)(C)C)O3)c1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.907
InChIKey:QFHRNQNLALVFIJ-UHFFFAOYSA-N
ID: 78002
SMILES:C(c1c(O)cc(CCCCC)cc1O)=C(CCC=C(C)CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -18.238
InChIKey:KVBDHFQUZZGNLL-UHFFFAOYSA-N
ID: 78003
SMILES:C(Cc1cocc1)C1(C)Oc2cc(CCCC)cc(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.61
InChIKey:AHMDMFSBSVWLDQ-UHFFFAOYSA-N
ID: 78004
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.059
InChIKey:XBELCHSDOZFUER-UHFFFAOYSA-N
ID: 78005
SMILES:COc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(C(=O)C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.769
InChIKey:GMNNITMEHBNXBK-UHFFFAOYSA-N
ID: 78006
SMILES:C1c2c(cc(CCCCC)c(C(OC)=O)c2O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.759
InChIKey:MIXJKJFXLPXLCG-UHFFFAOYSA-N
ID: 78007
SMILES:c1(C=Cc2cc(O)cc3c2c(O)cc(CCCC)c3O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 500.635
CB1 binding score: -15.203
InChIKey:XEZUNMCRRFKNSM-UHFFFAOYSA-N
ID: 78008
SMILES:C(C(c1c(C(=O)O)cc(CC=C(C)C)c(O)c1)CO)c1cc(O)cc(CC=C(CCC=C(C)C)C)c1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.692
CB1 binding score: -16.502
InChIKey:YOTUVUBYYIQDRH-UHFFFAOYSA-N
ID: 78009
SMILES:C1(CCC(C)=CCCC(C)=O)C(C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.76
InChIKey:CILYLTGQJFFUDX-UHFFFAOYSA-N
ID: 78010
SMILES:COc1c(O)c(CCCC)cc2c1C1(CCC(C)=CC1)CO2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.268
InChIKey:LNYQBGUBKJVRSS-UHFFFAOYSA-N
ID: 78011
SMILES:CC1(C)C2C1C1C(c3c(cc(CCCCC)cc3O)OC1=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.615
InChIKey:KQPDJVNXPCDDMH-UHFFFAOYSA-N
ID: 78012
SMILES:C1C23C(C(C)(C)CC1)C(OC)Oc1cc(CCCCC)cc(c12)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.342
InChIKey:QLZYXCIZMJFARY-UHFFFAOYSA-N
ID: 78013
SMILES:C1C(C(=O)O)=CC2c3c(cc(CCCCCC)c(OC(C)=O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -13.521
InChIKey:JSLSTIPISVODHS-UHFFFAOYSA-N
ID: 78014
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -16.319
InChIKey:JOXURWVZIRSFLZ-UHFFFAOYSA-N
ID: 78015
SMILES:C1C2C(C)(CCCC(C)C)Oc3c(cc(C(OC)=O)cc3OC)C(=CCC2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.444
InChIKey:APNKOSSUVCIBQY-UHFFFAOYSA-N