ID: 95614
SMILES:C(CCCC)c1cc2c(c(O)c1C(=O)OC)CC1C(C)(O2)CCC1C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.518
InChIKey:GOEZDKNBWIAIRK-UHFFFAOYSA-N
ID: 95615
SMILES:CC1CCC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.571
InChIKey:YXYUFQADKYZXBS-UHFFFAOYSA-N
ID: 95616
SMILES:c1c(CCCCC)cc(O)c(C(=O)OC2C(C)C3CC(C2)C(C)(C)O3)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.817
InChIKey:XNKQAINLLNLAKC-UHFFFAOYSA-N
ID: 95617
SMILES:O=C(Oc1c2c(cc(CCCCC)c1)OC(C)(CC1=CC3(C)C(C(C)=CCC3)CC1=O)C2=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -12.975
InChIKey:GBAMKXOITFKBNT-UHFFFAOYSA-N
ID: 95618
SMILES:c1cc(C(C)C)c(-c2c(CCCCC)cccc2O)c2c1OC(C)(C)C1C=CC(C)(C2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -15.147
InChIKey:LABBMYGWQYSANP-UHFFFAOYSA-N
ID: 95619
SMILES:C(c1c(C(=O)OC)c(OCC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCOC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -16.045
InChIKey:HZTQPJSGOGKZRT-UHFFFAOYSA-N
ID: 95620
SMILES:C(C)(CC(CC(C)=CCc1c(O)c(C)cc(O)c1)O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.033
InChIKey:YZFOPFXISIEBBH-UHFFFAOYSA-N
ID: 95621
SMILES:Cc1c(C(OC)=O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.355
InChIKey:XAVZKXNYYZOWNS-UHFFFAOYSA-N
ID: 95622
SMILES:CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 95623
SMILES:C(CCc1cc2c(c(O)c1C(=O)C)OC(C)(C)C1C2C=C(C)CC1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -12.567
InChIKey:DWGSDHNQHKZBJY-UHFFFAOYSA-N
ID: 95624
SMILES:C(C)(=CCCC(=CCc1c(O)cc(CCCCC)c(O)c1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.433
InChIKey:PQJHNORQVFURSH-UHFFFAOYSA-N
ID: 95625
SMILES:c1c(C2CC=C(CCC=C(CCC=C(C)C)C)C2)c(O)c(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.76
InChIKey:AKCSKHYPYHMJKH-UHFFFAOYSA-N
ID: 95626
SMILES:OCC=Cc1ccc2c(c1C(=O)O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.151
InChIKey:OOGXOUJXZUFPSF-UHFFFAOYSA-N
ID: 95627
SMILES:CC1=CC(c2cc(CCCCC)ccc2O)C(C(CCC=C(C)C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -15.929
InChIKey:ZIZSEKAHBKBDRF-UHFFFAOYSA-N
ID: 95628
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.209
InChIKey:VPDBCGRUZCACNK-UHFFFAOYSA-N
ID: 95629
SMILES:C1(=O)C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.597
InChIKey:LQROZGZXFUAWIS-UHFFFAOYSA-N
ID: 95630
SMILES:CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(CCC(=O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.039
InChIKey:APVAULGHDBAFMG-UHFFFAOYSA-N
ID: 95631
SMILES:O=C(O)CC1(C=O)c2c(O)cc(CCCCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -11.671
InChIKey:KMRRGTJTSDRJLK-UHFFFAOYSA-N
ID: 95632
SMILES:c1(CCC)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 95633
SMILES:C12C(C(=O)O)=CC(C1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.316
CB1 binding score: -16.438
InChIKey:LISCPSUPUGJRSL-UHFFFAOYSA-N
ID: 95634
SMILES:c12cc(CCCCC)ccc1oc(=O)c(C1C=C(CO)CCC1C(=C)C)c2O
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Simple coumarins
MW: 382.5
CB1 binding score: -16.027
InChIKey:DYHTYCBQDYCQAF-UHFFFAOYSA-N