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Molecule Identifiers
Molecular Properties

ID: 38326

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC2(C(C)CCC(C(C)C)C2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.517

InChIKey:
HQUWFFCUHKWAOE-UHFFFAOYSA-N

ID: 38327

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.371

InChIKey:
GSRXDBNJPHXNRM-UHFFFAOYSA-N

ID: 38328

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 38329

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(C)=CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.305

InChIKey:
HFWSEZZHIPPZNQ-UHFFFAOYSA-N

ID: 38330

SMILES:
C1(C)=CC2C(C(C)(C)Oc3ccccc32)CCC(C)=CCC1OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -12.33

InChIKey:
INUUDLUQQFDVSS-UHFFFAOYSA-N

ID: 38331

SMILES:
C1C(C)=CCC(C(C)C)C1c1c(O)cc(CCCCC)c(C(OC)=O)c1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.825

InChIKey:
HOEPKAGXDXVCCE-UHFFFAOYSA-N

ID: 38332

SMILES:
CC12C(CO)=CC3(C)C(c4c(O)cc(CCCCC)cc4O3)CC1C(C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.741

InChIKey:
HXOCGJMAFHNNCK-UHFFFAOYSA-N

ID: 38333

SMILES:
c12c(OC)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.808

InChIKey:
OJHFRUYQDIBLSP-UHFFFAOYSA-N

ID: 38334

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCCCC)c(O)c1OC(=O)C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.456

InChIKey:
NQWZDPKQSSITCN-UHFFFAOYSA-N

ID: 38335

SMILES:
CCCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CC(O)C(CCC=C(C)C)(C)C1C=C(C=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.689

CB1 binding score: -15.924

InChIKey:
VCYIAMAMTXHXRE-UHFFFAOYSA-N

ID: 38336

SMILES:
CC(C)=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -19.381

InChIKey:
ZGUWKQMGZPIDQH-UHFFFAOYSA-N

ID: 38337

SMILES:
CC1(C)Oc2c(cc(C)c(C)c2)-c2cc(C(C)C)ccc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.411

CB1 binding score: -15.913

InChIKey:
BWGXAYIIVQWVCO-UHFFFAOYSA-N

ID: 38338

SMILES:
c1c(CCCCC)c2c(c(O)c1O)C1C(C(C)(C)O2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -15.842

InChIKey:
UMNXSIQCVDMNNO-UHFFFAOYSA-N

ID: 38339

SMILES:
C1C(=O)C(CO)=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.362

InChIKey:
HOGCVKUHYHUGRW-UHFFFAOYSA-N

ID: 38340

SMILES:
C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 38341

SMILES:
c1(CCCCC)cc2c(c(O)c1)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 38342

SMILES:
c1(C(=C)CCC=C(C)C)c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.518

InChIKey:
WXCROTGCAFDIDJ-UHFFFAOYSA-N

ID: 38343

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 38344

SMILES:
CC(C)=C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.334

InChIKey:
CCJGSTAQJBFXDO-UHFFFAOYSA-N

ID: 38345

SMILES:
C1=C(C=O)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.606

InChIKey:
VJLYYZLCBPYVHN-UHFFFAOYSA-N

ID: 38346

SMILES:
C1(C(C)C)C2c3c(c(C(=O)O)c(CCCCC)cc3O)OC(C)(CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.182

InChIKey:
ATMVOFFJZCPIPO-UHFFFAOYSA-N

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38326–38346 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