ID: 83812
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 83813
SMILES:CC1=C(O)C2C(CC1O)C(C)(C)Oc1cc(C)c(C=O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 318.369
CB1 binding score: -12.516
InChIKey:QHUMDHDAUIYIBD-UHFFFAOYSA-N
ID: 83814
SMILES:O=C1CC(C)(C)C(O)(c2c(O)cc(CCCCC)cc2O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.427
CB1 binding score: -15.519
InChIKey:JBZHWCLYDXMEHZ-UHFFFAOYSA-N
ID: 83815
SMILES:C(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C=O)C=C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -12.339
InChIKey:RGATUBVFIDLEDD-UHFFFAOYSA-N
ID: 83816
SMILES:C(CCC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 83817
SMILES:c1(CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2=O)ccccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -15.171
InChIKey:YLTJLGDNYCBGIJ-UHFFFAOYSA-N
ID: 83818
SMILES:CC(=CCCC(C)=CCc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 83819
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)c(C(=O)O)c(CCCCC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.085
InChIKey:UHPQVMVEJWPWDW-UHFFFAOYSA-N
ID: 83820
SMILES:O(C(=C(C)C)c1c(O)c2c(cc1C)OC(C)(C)C1CC(=O)C(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -13.821
InChIKey:MBRKOWITPOQMIW-UHFFFAOYSA-N
ID: 83821
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 83822
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 83823
SMILES:c1(C)cc(Oc2cc(O)ccc2CCCC)cc(C2C=C(C)CCC2C(=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -13.39
InChIKey:DNEUAOHHXUYEML-UHFFFAOYSA-N
ID: 83824
SMILES:o1c(CCCCC)c2c(c1C=O)OC(C)(C)C1C2C=C(C(=O)O)CCC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: Not available
InChIKey:AOFVLJHORGMEBN-UHFFFAOYSA-N
ID: 83825
SMILES:c12c(cc(C)c(Br)c1)OC(C)(C)C(O)CC1C2(C)Oc2c(CC=C(C)C)c(O)c(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 557.569
CB1 binding score: -19.124
InChIKey:CUQCSJQXMBXEMG-UHFFFAOYSA-N
ID: 83826
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 83827
SMILES:C1(C)=CCCC(C)=CC2C(=CC1)C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.374
InChIKey:VHQLGFZKQKNMJS-UHFFFAOYSA-N
ID: 83828
SMILES:CC1(C)Oc2cc(O)c(C(=O)C(CC)C)c(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.078
InChIKey:ZJYYXCGFEUARDG-UHFFFAOYSA-N
ID: 83829
SMILES:C(CCC)Cc1cc2c(c(O)c1CO)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.19
InChIKey:CGXTXZFTAWHXEC-UHFFFAOYSA-N
ID: 83830
SMILES:CC1(C)Oc2cc(C)ccc2C2CCC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -16.591
InChIKey:DIAMKSGQCPRWKU-UHFFFAOYSA-N
ID: 83831
SMILES:OC(=O)C(OC)=CCOc1cc2c(cc1OC)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -15.833
InChIKey:TYIXIJGMEQNOID-UHFFFAOYSA-N
ID: 83832
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.691
InChIKey:JUCOHRGEXRGBDB-UHFFFAOYSA-N