ID: 55672
SMILES:C1C2(C(C)(C)Oc3c2c(O)c(C(=O)CCC)c(O)c3)OC(C)(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.411
CB1 binding score: -15.478
InChIKey:GZKWJCCCSNHJEO-UHFFFAOYSA-N
ID: 55673
SMILES:C(O)C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)OC1CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -14.509
InChIKey:QRBPERQATZRCGD-UHFFFAOYSA-N
ID: 55674
SMILES:C(Cc1ccc(O)cc1)=C1C2C(C=C(C=CN(C)C=O)C)C(C=C2C)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.593
CB1 binding score: -14.262
InChIKey:JXMOELSYPFCEFO-UHFFFAOYSA-N
ID: 55675
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.989
InChIKey:LILQJTGULSFPRP-UHFFFAOYSA-N
ID: 55676
SMILES:CC12CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC1CC1C(OC(CCC)=O)(C)C3CC1(C2OC(C(C)=CC)=O)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 622.843
CB1 binding score: -15.384
InChIKey:ZULBUPSQROSYRQ-UHFFFAOYSA-N
ID: 55677
SMILES:C12(c3c(cc(CCCCC)cc3O)O1)CCC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.072
InChIKey:SQDRAEUUDGHMDW-UHFFFAOYSA-N
ID: 55678
SMILES:C(CCCCCCc1cc(O)c(C(O)=O)c2c1OC(CCC=C(C)C)(C)C(OC(C)=O)CC2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -14.04
InChIKey:XWWZHQUKIFPMRE-UHFFFAOYSA-N
ID: 55679
SMILES:CC1(C)C23c4c(c(C)c5c(c4)C2C(CC1)C(C)(C)O5)OC(C)(C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.86
InChIKey:ZTIVKQUULKVFRO-UHFFFAOYSA-N
ID: 55680
SMILES:c1(OCC)c(CCCC)cc(O)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.522
InChIKey:HOTWODILLWOEFF-UHFFFAOYSA-N
ID: 55681
SMILES:C1C(C)=CCCC(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.756
InChIKey:KZSPITWSGNVMLP-UHFFFAOYSA-N
ID: 55682
SMILES:C1(C)C(=O)OC(c2c(O)cc(CCCCC)cc2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.421
InChIKey:NNCHLULPNZGTOU-UHFFFAOYSA-N
ID: 55683
SMILES:C(c1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -17.123
InChIKey:CLBAMIRVGQZXSE-UHFFFAOYSA-N
ID: 55684
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55685
SMILES:c12c(C)cc(C)cc1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.895
InChIKey:SRPHQCWAFVZLOB-UHFFFAOYSA-N
ID: 55686
SMILES:C1=C(C)CCC(OC(=O)C)C(C)(C)Oc2cc(O)cc(CCC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.138
InChIKey:IVLHWESDGGCVJA-UHFFFAOYSA-N
ID: 55687
SMILES:c1(C=O)cc(O)c2c(c1)OC(C)(C)C1OC(C=CC=C(CCC=C(C)C)C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.992
InChIKey:WMXWBIUWICDOKL-UHFFFAOYSA-N
ID: 55688
SMILES:Oc1cc(CCC)cc2c1C1CC(C)(CC(O)C(O)C(C)=C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: Not available
InChIKey:PNMAZKXDJHWEDH-UHFFFAOYSA-N
ID: 55689
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(O)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -17.879
InChIKey:IDQRPVLKXMKYJW-UHFFFAOYSA-N
ID: 55690
SMILES:c1(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 55691
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55692
SMILES:C12C(C)(C)Oc3cc(CCC(OC)=O)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.831
InChIKey:CBAVEEXFYQPIKH-UHFFFAOYSA-N