ID: 91582
SMILES:C1(C)=CC(c2cc(C(=O)OC)c(CCCCC)cc2O)Oc2cc(O)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -16.131
InChIKey:HCQZHJQLRXHPAH-UHFFFAOYSA-N
ID: 91583
SMILES:C(CCCCCOc1c(C(C(C)C)=O)cc(OC)c(OC)c1)c1c(O)c2c(cc1CC=C(C)C)OC(C)(C)C1C2(C=O)C2CCC(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 662.864
CB1 binding score: -16.934
InChIKey:MOLVSQBNXSYEGD-UHFFFAOYSA-N
ID: 91584
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1ccc(C)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.957
InChIKey:RKPJLXZTEWJEAM-UHFFFAOYSA-N
ID: 91585
SMILES:C(C(=C)C1C(c2cc(CCCCC)cc(OC)c2O)CC(C)CC1)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -12.244
InChIKey:KEKNJKSPWSMZFE-UHFFFAOYSA-N
ID: 91586
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)CCC=C(C)C)(C(=O)C(C)=C(OC)C1=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -16.029
InChIKey:MGNOYCNBCOKYHK-UHFFFAOYSA-N
ID: 91587
SMILES:CC1(C)C(O)c2c(c3c(c(O)c2)C=CC(C)(CCC=C(C)C)C3)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.923
InChIKey:ZZBSWISGNBBENV-UHFFFAOYSA-N
ID: 91588
SMILES:CCCCCc1cc(O)c2c3c1C(=O)OC(C)(C)C1CCC(C)(O2)C31
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.169
InChIKey:JFWRKKOVJRMUAE-UHFFFAOYSA-N
ID: 91589
SMILES:CC(=C)C=CCC(C)=CCCC1(C)C(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.282
InChIKey:WHOHPCKWHDZKAH-UHFFFAOYSA-N
ID: 91590
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 91591
SMILES:CC(OC1C2=CC(C(C)(C)Oc3cc(CCCCC)cc(O)c32)O1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.766
InChIKey:YFFGLPMRGNVPPM-UHFFFAOYSA-N
ID: 91592
SMILES:C1(CC)(C)C2CCC(C)=C(CCC3(C)C=Cc4c(c(C)cc(Oc5ccc(=O)cc(C)c5)c4)O3)C2(C)CCC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.744
CB1 binding score: -15.324
InChIKey:BYYNCQIPAIIYPS-UHFFFAOYSA-N
ID: 91593
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1OC1C=C(C)CC2)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: Not available
InChIKey:HVFZIEWKAUGLAE-UHFFFAOYSA-N
ID: 91594
SMILES:C1C(=O)OC(C(C)=CCCC(=CCc2c(O)c(C)cc(OC)c2)C)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.318
InChIKey:XBDSEXIYEUGZPX-UHFFFAOYSA-N
ID: 91595
SMILES:c12c(O)cc(CCCCC)cc1OC(C)C1CC(O)C(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.391
InChIKey:LSJZQSLILUBTCO-UHFFFAOYSA-N
ID: 91596
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 91597
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C2C1(C)CCC(O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.455
InChIKey:ZNRDIKWMXUHBCU-UHFFFAOYSA-N
ID: 91598
SMILES:C(=CC1C(CCc2ccccc2)Oc2c1c(O)ccc2C(OCCCC)=O)=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.641
CB1 binding score: -15.526
InChIKey:OHQWMLSGCFRHIK-UHFFFAOYSA-N
ID: 91599
SMILES:c1(CCCCC)cc2c(c(O)c1)C=CC(CCC1(C)C(=C)C(C)CCC1)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.484
InChIKey:SATQKFSPFPMXNY-UHFFFAOYSA-N
ID: 91600
SMILES:C12C3(C(=O)OC(c4c(O)c5c(cc4CCCCC)O3)C5C(C(O)=O)CCC1)COC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.453
CB1 binding score: -15.749
InChIKey:KSLFTXYPBSITHK-UHFFFAOYSA-N
ID: 91601
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 91602
SMILES:C(C)c1cc2c(c(O)c1)OC(C)(C)C1C2C(C)(O)CCC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -15.526
InChIKey:MWLJCTIUYFYDJC-UHFFFAOYSA-N