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Molecule Identifiers
Molecular Properties

ID: 131083

SMILES:
c1c(O)c(OC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.725

InChIKey:
DFKRODPVBXERME-UHFFFAOYSA-N

ID: 131084

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131085

SMILES:
c1(CCCCC)cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.296

InChIKey:
SBDHCUZETSWOAX-UHFFFAOYSA-N

ID: 131086

SMILES:
CC(=CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 131087

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131088

SMILES:
C(C(=CCC1(C)Oc2c(OC)c3c(c(C)c21)C=CC(C)(C)O3)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.531

InChIKey:
DQHZHBIFWXKSHI-UHFFFAOYSA-N

ID: 131089

SMILES:
O=C1c2c(Br)c(C)cc(O)c2C2C=C(C)CCC2C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 365.267

CB1 binding score: -15.111

InChIKey:
JRAHPXKASUYOOO-UHFFFAOYSA-N

ID: 131090

SMILES:
C(OC)c1c(O)c2c(cc1CCCCC)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -12.982

InChIKey:
CKMAVEBKCFEFFC-UHFFFAOYSA-N

ID: 131091

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 131092

SMILES:
C(=Cc1cc2c(cc1CCCCC)OC(C)(C)c1ccc3c(c12)C(=O)CCC3(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.605

CB1 binding score: -11.461

InChIKey:
OTFZBTXSIOSMBE-UHFFFAOYSA-N

ID: 131093

SMILES:
CC1(C)C(C23Oc4c(cc(CCCCC)cc4O2)OC3CCC)CCC(C)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -12.423

InChIKey:
VAFWUNZAQVRIRJ-UHFFFAOYSA-N

ID: 131094

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C(=O)C3(CC4C(C(=C)C)CCC(C)=C4CCC12C)O)C=C(C(C)=C)C(=O)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 598.78

CB1 binding score: Not available

InChIKey:
GOZJISFBQXVNMF-UHFFFAOYSA-N

ID: 131095

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3OC2(C)C)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.535

CB1 binding score: -15.851

InChIKey:
NUBUFMNKSDMOAH-UHFFFAOYSA-N

ID: 131096

SMILES:
CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 131097

SMILES:
c1(=O)c(O)ccc(C(C)=O)c2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -16.092

InChIKey:
JSGBRFSJCWYRGJ-UHFFFAOYSA-N

ID: 131098

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 131099

SMILES:
CC(=O)OC(C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.293

InChIKey:
POVQXECMRJELSV-UHFFFAOYSA-N

ID: 131100

SMILES:
Oc1cc(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.351

InChIKey:
SQRVZRBFCFPASS-UHFFFAOYSA-N

ID: 131101

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 131102

SMILES:
c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C(O)=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.101

InChIKey:
RIISKQDBRAJBLQ-UHFFFAOYSA-N

ID: 131103

SMILES:
c1(O)c(C(O)=O)c(CCC)cc(O)c1C1C=C(C)CCC1C(=O)C=CC(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -13.029

InChIKey:
WDCLKEPUCLIKGR-UHFFFAOYSA-N

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131083–131103 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