ID: 45004
SMILES:C(CCc1c2c(c3c(c1)OC(C)(C)C1C3C=C(C)CC1)C(O)(C)CCC2C(=C)C)COC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -15.615
InChIKey:ZQFPOGOJDOCGRJ-UHFFFAOYSA-N
ID: 45005
SMILES:c12c(c(CCCCC)cc(O)c1)CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -17.062
InChIKey:ROVGWOUPUUSTCF-UHFFFAOYSA-N
ID: 45006
SMILES:CC1(C)C2C(C=C(C)CC2)c2c(O)cc(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 45007
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.27
InChIKey:JNUWKSNIBRJTBP-UHFFFAOYSA-N
ID: 45008
SMILES:O=C(C)OC(C)(C)C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.502
InChIKey:PGBNWCCSWJNLJT-UHFFFAOYSA-N
ID: 45009
SMILES:O=C(OCC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 45010
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 45011
SMILES:C(C)(C)=C1CCC(C)C=C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.75
InChIKey:OATLYKJRRDZHIA-UHFFFAOYSA-N
ID: 45012
SMILES:C=C(C)C1CCC(C)=C1c1c(O)cc(CCCCC)c(C(OC)=O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.544
InChIKey:UFVPGAWAUINKMW-UHFFFAOYSA-N
ID: 45013
SMILES:C1C(O)C(C)=CCC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -13.444
InChIKey:MXDJMYLKZVKVCU-UHFFFAOYSA-N
ID: 45014
SMILES:C12(C)C(C(COC(C)=O)(C)CCC1)CCC13C2c2c(cc(CCCCC)cc2O)OC1C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.663
InChIKey:URUDWKUNGSCUGU-UHFFFAOYSA-N
ID: 45015
SMILES:CC1=CC2C(C(CO)(C)Oc3cc(C)c[n+](C)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.384
CB1 binding score: Not available
InChIKey:CQUIUKKBHLDMDY-UHFFFAOYSA-N
ID: 45016
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.807
InChIKey:NKRLFRROTIRYCS-UHFFFAOYSA-N
ID: 45017
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C=CC(=C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.831
InChIKey:PRBYMEIBAFVCKU-UHFFFAOYSA-N
ID: 45018
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C2(C)C)CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.24
InChIKey:KVEZDMAEZRMDQM-UHFFFAOYSA-N
ID: 45019
SMILES:COc1c(CCC)c2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.613
InChIKey:BBVRTBRXRBFGOX-UHFFFAOYSA-N
ID: 45020
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(O)(CC(CC=C(C)C)C(C)(C)O1)C2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.568
InChIKey:ZAYQHLTTZAUGCD-UHFFFAOYSA-N
ID: 45021
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C(OC)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 45022
SMILES:CC1(Oc2cc(CCCCC)cc(O)c2)C2C(C1)C(C(C)C)CC(O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 374.565
CB1 binding score: -16.231
InChIKey:GCKDTEGQDDRKML-UHFFFAOYSA-N
ID: 45023
SMILES:C1(C)c2c(cc(C)c(O)c2OC)OC(C)(C)C2CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -13.02
InChIKey:VSKFBOMGWCHXFA-UHFFFAOYSA-N
ID: 45024
SMILES:CC1=CC2c3c(cc(C)c(O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.957
InChIKey:BDJDGHAJUAVGBE-UHFFFAOYSA-N