Browse

Molecule Identifiers
Molecular Properties

ID: 142213

SMILES:
C1(C)C2(O)C(O)(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.837

InChIKey:
CWARXXZUBDPLNE-UHFFFAOYSA-N

ID: 142214

SMILES:
C1C(COC(c2ccc(O)cc2)=O)=CC2c3c(cc(CCCCC)cc3OC2CCCCC)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.602

CB1 binding score: -11.987

InChIKey:
LNAWLXDPUKKFEN-UHFFFAOYSA-N

ID: 142215

SMILES:
CC1(C)CC2=C1Cc1c(cc(CCCCC)cc1O)OC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -12.795

InChIKey:
BHNLMFQNLDYWMC-UHFFFAOYSA-N

ID: 142216

SMILES:
SCCc1c(O)c(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.454

CB1 binding score: -14.892

InChIKey:
SZOZHULNTLCGJB-UHFFFAOYSA-N

ID: 142217

SMILES:
c1(CC=C)c(O)c(OC)cc2c(C=O)c3c(c(O)c12)C1C(C(C)(C)O3)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.494

CB1 binding score: -16.761

InChIKey:
QVRZDSWXOVDQKR-UHFFFAOYSA-N

ID: 142218

SMILES:
C(O)(c1cc(O)c2c(c1)OC(C)(C)C1C2CC=C(C)C1=O)C(=O)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.379

CB1 binding score: -16.334

InChIKey:
AEIDKBCELMYTCO-UHFFFAOYSA-N

ID: 142219

SMILES:
C1CC(O)(C)C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 142220

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 142221

SMILES:
CC(CCC(O)C(C)=C)=CCc1cc(C2C(C(C)=C)CCC(C)=C2)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.153

InChIKey:
LCRNZIKHKHGWAO-UHFFFAOYSA-N

ID: 142222

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 142223

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(CO)C2(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.82

InChIKey:
YCLPCNSIROEBDK-UHFFFAOYSA-N

ID: 142224

SMILES:
C1C2(C)Oc3cc(C)cc(O)c3C1C(C(C)=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.387

InChIKey:
VVRJCBBASZRUGL-UHFFFAOYSA-N

ID: 142225

SMILES:
C12(C)Oc3c(cc(CCCCC)cc3O)C1C=C(C)CCC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.389

InChIKey:
BBZVDUWATQTAHQ-UHFFFAOYSA-N

ID: 142226

SMILES:
C=C(C)C1C(C)(CCC(O)=O)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.982

InChIKey:
ARMNXAJKAWORKS-UHFFFAOYSA-N

ID: 142227

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 142228

SMILES:
C(CCC(C)=CCCC(C)=CC1C=C(C)C(c2c(O)c(C)cc(O)c2)C1C(=C)C)(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.388

InChIKey:
QRRQHVIAFOUOIU-UHFFFAOYSA-N

ID: 142229

SMILES:
CC1(C)C2=C(c3c(O)cc(CCCCC)cc3OC2C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.99

InChIKey:
BSJPOJJBJZWLJL-UHFFFAOYSA-N

ID: 142230

SMILES:
C1(C)c2c(O)cc(C)cc2OC(C)(C)C=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -17.77

InChIKey:
WIHPWNOCRJICJO-UHFFFAOYSA-N

ID: 142231

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 142232

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1=C(CC2C(C)C)C(=O)C(CC=C(C)CCC=C(C)C)=C(O)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.684

CB1 binding score: -16.181

InChIKey:
BLABNNXXKPGAEU-UHFFFAOYSA-N

ID: 142233

SMILES:
C(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1O)(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

◀6770677167726773677467756776▶
142213–142233 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