ID: 78940
SMILES:COc1cc2c3c(c1C)OC(C)(C)C1C3CC(C)=CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.084
InChIKey:MLDPRIBHQTZPEC-UHFFFAOYSA-N
ID: 78941
SMILES:O(C(=O)C)C1C2(C)C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.932
InChIKey:JFGGXOOWIFZKGO-UHFFFAOYSA-N
ID: 78942
SMILES:C1(=O)C(=CBr)C(OC)C2C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.32
CB1 binding score: -15.929
InChIKey:OTGIPEBZFIDQOZ-UHFFFAOYSA-N
ID: 78943
SMILES:C12(c3c(cc(CCCCC)cc3O)OC3(O)C(C(C)=CC1C)CC(=C(C)C)C(=O)C3)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.13
InChIKey:VNODLHXTVANAIO-UHFFFAOYSA-N
ID: 78944
SMILES:C(Oc1cc(CCCCC)cc(O)c1C1CC(C)=CCC1(C)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -12.689
InChIKey:VAYIEYYCWRHQGV-UHFFFAOYSA-N
ID: 78945
SMILES:CC(O)(C1CC(=O)C(C)=CC1c1c(O)cc(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.269
InChIKey:HMCFNMADBIJYFD-UHFFFAOYSA-N
ID: 78946
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 78947
SMILES:OC(c1c(CC(C(C)(C)O)O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.995
InChIKey:FKUYKAZWRFZUMW-UHFFFAOYSA-N
ID: 78948
SMILES:Cc1c2c(ccc1O)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.218
InChIKey:PPQGSYXZPWMEOQ-UHFFFAOYSA-N
ID: 78949
SMILES:c1c(C2=C(CC(C)C)C(=O)C3(O)C(C)COC3=C2)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -12.372
InChIKey:JNMCFIROAZVAPG-UHFFFAOYSA-N
ID: 78950
SMILES:C1(C)(CCC=C(C)C#N)c2c(cc(C)c(OC)c2)OC(C)(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.452
CB1 binding score: -15.111
InChIKey:YHPIUGKNCRRHCK-UHFFFAOYSA-N
ID: 78951
SMILES:C1CC2(C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.55
InChIKey:HQSVTWSYVZRBHB-UHFFFAOYSA-N
ID: 78952
SMILES:c12cc(CCCCC)cc(O)c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 78953
SMILES:CC1(O)C2(C(C)(C)CCC1OC(=O)C)Cc1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.14
InChIKey:VVFBZXSHWBCLFH-UHFFFAOYSA-N
ID: 78954
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)=C)CCC(O)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 78955
SMILES:c1(OC(=O)C)c2c(c3c(c1OC)OC(C)(C)C=C3)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.313
InChIKey:HJXNWQIKQAEBQS-UHFFFAOYSA-N
ID: 78956
SMILES:C(C)(C)=CCc1cc(C)c(C2=C(C)C(=O)C(O)=C(C(CCCCC)C(C)C)c2O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.619
InChIKey:NJHRIWQWOOZPJL-UHFFFAOYSA-N
ID: 78957
SMILES:C(C12C(=O)c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2)(O)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.693
InChIKey:XCDDWXYOGVATCJ-UHFFFAOYSA-N
ID: 78958
SMILES:Oc1c(C(CC=C)(C)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.755
InChIKey:QJCBUZJRARUFAQ-UHFFFAOYSA-N
ID: 78959
SMILES:c12c(c(OC)cc(CCCCC)c1)C(CC(=C)C)OCC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.538
InChIKey:PGISXMXHODFDDY-UHFFFAOYSA-N
ID: 78960
SMILES:CC(C)(C1Oc2c(c(O)cc(CCCCC)c2)C2(CO)OC2C1)CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -14.054
InChIKey:DSIQIPHXGNHNAQ-UHFFFAOYSA-N