ID: 49960
SMILES:C1C(SC(CC)C)(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.677
CB1 binding score: -12.144
InChIKey:NLBXSEGYFZUGAG-UHFFFAOYSA-N
ID: 49961
SMILES:C1(O)C(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)c(C(OC)=O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.702
InChIKey:BCEHNMWHLSBDNF-UHFFFAOYSA-N
ID: 49962
SMILES:C1(C)(C)Oc2c(cc(OCC=C(C)C)cc2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.092
InChIKey:OPBPSBFWJVGYLF-UHFFFAOYSA-N
ID: 49963
SMILES:C1(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 49964
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)(OC)C3CC1(C)OC32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.471
InChIKey:SYCNTPHMCZKTST-UHFFFAOYSA-N
ID: 49965
SMILES:C(=O)(O)c1c(CCCCC)cc2c(c1O)C1OC(C)(C)C3CCC1(C)C32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.871
InChIKey:AFHKUKNHVLYJIM-UHFFFAOYSA-N
ID: 49966
SMILES:c1c2c(ccc1)-c1cc(C(C)(C)C)ccc1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.384
CB1 binding score: -13.336
InChIKey:UOUUWWWALQKFOV-UHFFFAOYSA-N
ID: 49967
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)(OC(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.579
InChIKey:MEJPJPWFWGSJIC-UHFFFAOYSA-N
ID: 49968
SMILES:CC1(CCC=C(C)C)C(CCC(C)=CCCC(O)C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -14.432
InChIKey:JCYBZKGZZFOCQZ-UHFFFAOYSA-N
ID: 49969
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49970
SMILES:C1C(C)(C=O)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.801
InChIKey:BORJEZFFLBHWHE-UHFFFAOYSA-N
ID: 49971
SMILES:C(C(O)(C)C)=CCC1(C)Oc2cc(CCCCC)cc(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.214
InChIKey:SEGCCQIDJXZOEP-UHFFFAOYSA-N
ID: 49972
SMILES:C1C2C(CC=C1C=O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 49973
SMILES:CC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 49974
SMILES:Oc1c(C2C(C(=C)C)CC(=O)C(C)=C2)c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.943
InChIKey:BYDVIITWJYTONA-UHFFFAOYSA-N
ID: 49975
SMILES:C(C)(CCCc1cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.632
CB1 binding score: -16.427
InChIKey:SHKFSAMMOCSXRX-UHFFFAOYSA-N
ID: 49976
SMILES:C=C(CC(=O)c1c(CCCCCC)cc(O)c(CC=C(C)C)c1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.435
InChIKey:WIKWIPQTRQYALX-UHFFFAOYSA-N
ID: 49977
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OC(=O)C)C2C(C)(C)C3C1(CC2=O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -17.927
InChIKey:RMLNNFSCSZIHKR-UHFFFAOYSA-N
ID: 49978
SMILES:c1(O)c2c(cc(CCC(C)=O)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.321
CB1 binding score: -17.445
InChIKey:RUMPQDOLAUGMIR-UHFFFAOYSA-N
ID: 49979
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 49980
SMILES:C1(C(C)=C)CCC(C)C12Oc1c(c(O)cc(CCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.883
InChIKey:IKKOGKUBUWBKCI-UHFFFAOYSA-N