ID: 113695
SMILES:Oc1c(C(=O)O)c(CCC(=O)C23C(=O)C=C(CO)C(O)C2(OC)OCC3=C)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.619
CB1 binding score: -12.698
InChIKey:NMWQWKLDCFOVBU-UHFFFAOYSA-N
ID: 113696
SMILES:C12CCC(C)=CC1c1c(cc(CCCC)cc1O)OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.829
InChIKey:MHCQJUPLTFTPFM-UHFFFAOYSA-N
ID: 113697
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113698
SMILES:BrC1CCC(C)(O)C(c2c(O)cc(C(O)CCC)cc2O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 401.341
CB1 binding score: -15.929
InChIKey:HRSMQXMIIZZSFC-UHFFFAOYSA-N
ID: 113699
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 113700
SMILES:C(=CCc1ccc2c(c1)OC(C)(C)C1=C2CC(C)(OC(C)=O)CC1)CCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.193
InChIKey:QDNNQDMUIFNIGR-UHFFFAOYSA-N
ID: 113701
SMILES:C1(C(=C)C)C(c2ccc(CCCCC)cc2)CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -18.061
InChIKey:DESJARXNHPEZEM-UHFFFAOYSA-N
ID: 113702
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC)c(CCCCC)cc3O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.278
InChIKey:TURSJTHUXLAQHP-UHFFFAOYSA-N
ID: 113703
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 113704
SMILES:c1(O)cc(C(=O)CC)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.017
InChIKey:KFSZHWUOXAHUON-UHFFFAOYSA-N
ID: 113705
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)C(C)(OC)C(=O)C=C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.767
InChIKey:ZBPSJBCHRWJZRR-UHFFFAOYSA-N
ID: 113706
SMILES:CC(O)(C)C1Cc2c(c(O)cc(CCCCC)c2)C(C=O)C1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: Not available
InChIKey:GQGWPSYJNLHFIQ-UHFFFAOYSA-N
ID: 113707
SMILES:CC1(C)C2CCC(C(=O)O)=CC2Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.435
InChIKey:YTWOCDFBTQHAPV-UHFFFAOYSA-N
ID: 113708
SMILES:c1(O)c2c(cc(CCC(O)=O)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.16
InChIKey:CVKOASOLDJIIPJ-UHFFFAOYSA-N
ID: 113709
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 113710
SMILES:C1(CC=CC(C)(O)C)(C)Oc2c(c(OC)cc(CCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.778
InChIKey:ZBOGZSJZOXXYJH-UHFFFAOYSA-N
ID: 113711
SMILES:c1(O)cc(C)cc2c1C1C(CC2)C(C)(C)Oc2c1cccc2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.394
CB1 binding score: -14.88
InChIKey:HSXLLGLGEWDQAM-UHFFFAOYSA-N
ID: 113712
SMILES:c1(OC)cc(C)c(O)cc1C1=C(C2C=C(C)CCC2C(C)=C)OC(C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.693
InChIKey:YFSOWECAMAWGTR-UHFFFAOYSA-N
ID: 113713
SMILES:CC1CC(CC(C)=CCc2c(O)c(C)cc(O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.933
InChIKey:HIZXNNVAADHYKU-UHFFFAOYSA-N
ID: 113714
SMILES:C(C=O)(C1(C)CC2c3c(O)cc(C)cc3OC(C)(C)C2C(O)C1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.744
InChIKey:ZDXYBLPECLHMKL-UHFFFAOYSA-N
ID: 113715
SMILES:O1C2(C(COC(C(F)(F)F)=O)C1)Oc1cc(CCCCC)cc(OC)c1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.382
CB1 binding score: -14.849
InChIKey:ODSPDINCHQKPNX-UHFFFAOYSA-N