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Molecule Identifiers
Molecular Properties

ID: 126148

SMILES:
C1(O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.226

InChIKey:
KLQUYLIHCSMIPD-UHFFFAOYSA-N

ID: 126149

SMILES:
C(CCC=C(C)C)(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.943

InChIKey:
QOVOSRUONCHPIN-UHFFFAOYSA-N

ID: 126150

SMILES:
c1(CCC(O)=O)cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -15.618

InChIKey:
SUWKIUQYYNXIBC-UHFFFAOYSA-N

ID: 126151

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1c-2cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -17.615

InChIKey:
NPXIWMRDZHDFSA-UHFFFAOYSA-N

ID: 126152

SMILES:
c1(O)c(CC=C(C)CCC2=C(C)CCCC2(C)C)c(O)cc(CCCC(C)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.575

InChIKey:
YDZLCRAISHSHRP-UHFFFAOYSA-N

ID: 126153

SMILES:
c1(O)cc(CCC)ccc1C1C(C(O)(C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.838

InChIKey:
NMMZPZFRMUCCQT-UHFFFAOYSA-N

ID: 126154

SMILES:
Oc1c(O)cc(C)c2c1-c1c(O)cc(CCCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -13.174

InChIKey:
XFJSBBFKRQFBQB-UHFFFAOYSA-N

ID: 126155

SMILES:
C1C2(C)C(CC=C1c1ccc(C)cc1O)C(C)(C)OC(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.151

InChIKey:
WYVVNZZSKIKFPN-UHFFFAOYSA-N

ID: 126156

SMILES:
C1(C)(CCC=C(C)C)C=Cc2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 126157

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 126158

SMILES:
CC1(C)Oc2cc(CCCC(=O)CCCCCC)cc(O)c2-c2c(O)ccc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -14.605

InChIKey:
BXUCOQAIKHFHPB-UHFFFAOYSA-N

ID: 126159

SMILES:
C1C(C(C)=C)C(c2c(OC)cc(CCCCC)cc2OC)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.878

InChIKey:
UYBGHBAVRNATET-UHFFFAOYSA-N

ID: 126160

SMILES:
C1(C(O)=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -16.373

InChIKey:
OUOPARXECQZLKA-UHFFFAOYSA-N

ID: 126161

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)ccc(CO)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.303

InChIKey:
MTKKHOSJZOYPPN-UHFFFAOYSA-N

ID: 126162

SMILES:
CC1(C)Oc2ccc(O)cc2C2CC(C)=CCC21O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.623

InChIKey:
MVNJXRXMTJFIJL-UHFFFAOYSA-N

ID: 126163

SMILES:
C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C2C=C(C)C(OO)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.605

InChIKey:
BNMPKDUOTQFBME-UHFFFAOYSA-N

ID: 126164

SMILES:
C(C)(Oc1cc2c(cc1C)OC(C)(C)C1C2C=C(CO)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 316.397

CB1 binding score: -18.03

InChIKey:
IFSXYIBTSXMKSZ-UHFFFAOYSA-N

ID: 126165

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.691

InChIKey:
ZBBXHJRPBQMOEE-UHFFFAOYSA-N

ID: 126166

SMILES:
Clc1c(O)c(C2C=C(C)CCC2C(=C)C)c(C(CC(C)C)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.897

CB1 binding score: -16.557

InChIKey:
IVEWSQYAZMOVTA-UHFFFAOYSA-N

ID: 126167

SMILES:
c12c(CCCCC)cc(OC)c(O)c1C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.513

InChIKey:
JHSRGQDUAFYNHM-UHFFFAOYSA-N

ID: 126168

SMILES:
CC(O)c1ccc2c(c1)OC(C)(C)C1C2CC(C)(CC)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.265

InChIKey:
ASOFPPSRGYPFAR-UHFFFAOYSA-N

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126148–126168 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties