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Molecule Identifiers
Molecular Properties

ID: 133267

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.84

InChIKey:
CIDSACROHFISMP-UHFFFAOYSA-N

ID: 133268

SMILES:
C1(C(C)C)C(c2cc(CCCCC)cc(O)c2O)CC(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -18.262

InChIKey:
NMDGIFNTYYQNIA-UHFFFAOYSA-N

ID: 133269

SMILES:
C1C(C)=CC(c2c(C)cc(O)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 133270

SMILES:
O(c1c(C2C(C(C)=CCCC(=C)C)CCC(C)=C2)c(OC)cc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -16.078

InChIKey:
FJWWRNWPSVOMHU-UHFFFAOYSA-N

ID: 133271

SMILES:
O=C1C(C)CCC(C(C)=C)C1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.056

InChIKey:
DRULOSNONBCXIW-UHFFFAOYSA-N

ID: 133272

SMILES:
C12CC(C(C)(C)Oc3cc(CCCCC)c(C(=O)O)cc31)CC2CCC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.371

InChIKey:
PIKFARLXVVQHMH-UHFFFAOYSA-N

ID: 133273

SMILES:
c1(O)cc(O)cc(OC(=O)C)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.16

InChIKey:
UXKDSCGBWWLUOX-UHFFFAOYSA-N

ID: 133274

SMILES:
O=C(O)c1c(O)cc2c(c1COC(C)=O)C(OC)C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)=C(C)C(=O)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 594.657

CB1 binding score: -14.28

InChIKey:
RGTIVBXMVSCMDH-UHFFFAOYSA-N

ID: 133275

SMILES:
Oc1c(C2C(C(=C)C)CCC(C(O)=O)=C2)c(CC(C)C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -11.912

InChIKey:
DHVQWJYJOJNEHR-UHFFFAOYSA-N

ID: 133276

SMILES:
C1C2C3(OC3C1O)C(=O)c1ccc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.277

InChIKey:
GHQPDGJUSKDXPK-UHFFFAOYSA-N

ID: 133277

SMILES:
C(CO)(=CCCC(C1COc2c1c(CC=C(C)C)c(OC)cc2CCc1ccccc1)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -16.549

InChIKey:
CNWCSGXEKMWZFA-UHFFFAOYSA-N

ID: 133278

SMILES:
c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 133279

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 133280

SMILES:
OC(=O)CCCc1c(C2C(C(C)=C)CCC(C)=C2)c(OCC(C(C)(O)C)O)c(O)c(C(=O)CC(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.674

CB1 binding score: -14.001

InChIKey:
PWOIOKQAJNYLBP-UHFFFAOYSA-N

ID: 133281

SMILES:
C(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1OC)(C(C)C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.629

InChIKey:
MISLFTCXHJVEOX-UHFFFAOYSA-N

ID: 133282

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.195

InChIKey:
CSDOPXQUFPOBGU-UHFFFAOYSA-N

ID: 133283

SMILES:
C1(C)=CCc2c(O)cc(C)cc2OC1(C)CC=CC(C)(C)OO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -12.246

InChIKey:
WOECNPJDRRDUFS-UHFFFAOYSA-N

ID: 133284

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 133285

SMILES:
C(C)(C1CCC2(C)OC2C1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.987

InChIKey:
OGYVNNJNQUCMPG-UHFFFAOYSA-N

ID: 133286

SMILES:
c12c(cc(C)c(CCCCC)c1)-c1c(ccc(COC(=O)CCC(O)=O)c1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -15.116

InChIKey:
UCJGDFSATZXLKW-UHFFFAOYSA-N

ID: 133287

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(=C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.87

InChIKey:
FETKOTGOQAWSOM-UHFFFAOYSA-N

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133267–133287 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