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Molecule Identifiers
Molecular Properties

ID: 140764

SMILES:
C1CC(C(C)=C)C(c2c(O)ccc(CCCCC)c2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 140765

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2OC(C(C)CCO)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.667

InChIKey:
IXPPJBYWJOQHAR-UHFFFAOYSA-N

ID: 140766

SMILES:
c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 140767

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.351

InChIKey:
UHJJZAGNGHUZLC-UHFFFAOYSA-N

ID: 140768

SMILES:
COc1ccc(CC(=O)OCC2=CC3c4c(O)cc(CCC(=O)O)cc4OC(C)(C)C3CCC2=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.594

CB1 binding score: -18.264

InChIKey:
NLFJWOGKRATIMZ-UHFFFAOYSA-N

ID: 140769

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140770

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c(cc(O)cc3C)C2)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.727

InChIKey:
DQEHLOITIVVXAW-UHFFFAOYSA-N

ID: 140771

SMILES:
C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C(C(C)CC=CC(O)(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -14.29

InChIKey:
YUMUPTXBZMHLNO-UHFFFAOYSA-N

ID: 140772

SMILES:
Brc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.365

CB1 binding score: -17.905

InChIKey:
ZGLBJRARNUQZPX-UHFFFAOYSA-N

ID: 140773

SMILES:
O(C)c1c(CCCCC)cc2c(c1)C1C=C(C)CCC1C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.775

InChIKey:
WXOSETARUBFIEI-UHFFFAOYSA-N

ID: 140774

SMILES:
c1(C(O)=O)c(CCCCC)cc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.515

InChIKey:
ZAVUVJKIYYTDNI-UHFFFAOYSA-N

ID: 140775

SMILES:
C1(C)(C)CC(O)CC(C)=C1c1c(O)c(C(=O)O)c(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.076

InChIKey:
MFGRVUOJHQDWAV-UHFFFAOYSA-N

ID: 140776

SMILES:
c1c(O)c(C=O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.197

InChIKey:
IZTJTMKXZGUARW-UHFFFAOYSA-N

ID: 140777

SMILES:
CC1(C)Oc2c(c(O)cc(C)c2)C2CC(C)=CCC12O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.215

InChIKey:
LRYKBHFCQKDWIN-UHFFFAOYSA-N

ID: 140778

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.716

InChIKey:
MMMBBXWSLJXQAV-UHFFFAOYSA-N

ID: 140779

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

ID: 140780

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140781

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 140782

SMILES:
c1(C(OC)=O)cc(CCCCC)cc(O)c1CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -16.015

InChIKey:
FDTZNUCMKODDAC-UHFFFAOYSA-N

ID: 140783

SMILES:
C1(C)(C)C2CC=C(C)CC2c2c(cc(CCC(=O)O)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.348

InChIKey:
JOYUYYKXKXTPDY-UHFFFAOYSA-N

ID: 140784

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CC(C(C(=C)C)O)C2=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.678

InChIKey:
JSIQRJMINDQEAB-UHFFFAOYSA-N

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140764–140784 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