Browse

Molecule Identifiers
Molecular Properties

ID: 75769

SMILES:
c1c(CO)cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -16.604

InChIKey:
HYLXRRXZERZGRZ-UHFFFAOYSA-N

ID: 75770

SMILES:
Oc1c(OC)ccc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.334

InChIKey:
GFQYLAVBKLTRDE-UHFFFAOYSA-N

ID: 75771

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)(O)C(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.929

InChIKey:
FBDJNJMZPHXESA-UHFFFAOYSA-N

ID: 75772

SMILES:
C(OC1CC2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1C(C)C)C(C)(CCC=C(C)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.721

CB1 binding score: -9.008

InChIKey:
LCVCVQMZBUMWDG-UHFFFAOYSA-N

ID: 75773

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -12.623

InChIKey:
NLCSFWYVRVMZEQ-UHFFFAOYSA-N

ID: 75774

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c(C(C(C)C)=O)c(O)c(O)c(C)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.49

InChIKey:
FDHOBOVQDUQOLU-UHFFFAOYSA-N

ID: 75775

SMILES:
CCCCc1cc(O)c2c(c1O)OC1(C)C(C2)CC(C(C)C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -12.662

InChIKey:
DJCNHKWJKVCNPB-UHFFFAOYSA-N

ID: 75776

SMILES:
C(=C(C)CCC=C(C)C)Cc1c(CC)cc(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.032

InChIKey:
OACOZIDKMOCFIE-UHFFFAOYSA-N

ID: 75777

SMILES:
CC1(C)CCC2Oc3c(c(O)cc(CCCCC)c3)C2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.288

InChIKey:
CMINEAYMONJHPZ-UHFFFAOYSA-N

ID: 75778

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c(C(=O)C(C)C)c(O)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.896

InChIKey:
YAFMVAAAXLTYHW-UHFFFAOYSA-N

ID: 75779

SMILES:
OC1(C)C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC2=C(C)CCC(C(C)(C)O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -12.877

InChIKey:
ZDTLXYDZTVUQCK-UHFFFAOYSA-N

ID: 75780

SMILES:
C12CC(=O)c3c(cc(CCCCC)cc3O)OC1(C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.316

InChIKey:
LDMBKXJPZKORKO-UHFFFAOYSA-N

ID: 75781

SMILES:
C(Cc1cc(O)c2c(c1)OC1(C)CC2C(C)(C)C(OC(=O)CC(C)C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.525

InChIKey:
QZMMMIDTWGMYOW-UHFFFAOYSA-N

ID: 75782

SMILES:
O=C(C)OCC1=CC2C(CC1)C(C)(C)Oc1cc(C)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.792

InChIKey:
RDKNCFAQSUDPHE-UHFFFAOYSA-N

ID: 75783

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.334

InChIKey:
HSWXHBKVRHCSJK-UHFFFAOYSA-N

ID: 75784

SMILES:
Cc1ccc(C(CCCC2(C)Oc3c(OC)cc(CCCCC)c(CC=C(C)C=CC=C(C)C)c3)o2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.766

CB1 binding score: -16.249

InChIKey:
UIPRYFUAQPGBSR-UHFFFAOYSA-N

ID: 75785

SMILES:
C1(C)=CCC(C(C)=C)C(c2c(C)c(=O)c(OC)cc(C)c2O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.429

InChIKey:
OWOHVPPZVWCJGY-UHFFFAOYSA-N

ID: 75786

SMILES:
C1(c2c(O)cc(CCC)cc2O)(CCC=C(C)C)CCC(=O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.128

InChIKey:
YNWPYSDZOIOFOH-UHFFFAOYSA-N

ID: 75787

SMILES:
C1(C)Cc2c(cc(O)c(C)c2)-c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.379

InChIKey:
GBEAAOSQFJQXBH-UHFFFAOYSA-N

ID: 75788

SMILES:
c12c(O)cc(CCCCC)cc1OC(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: 75789

SMILES:
OC1=Cc2c(O)cc(CCCCC)cc2OC2(C)C1=CC(O)(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.383

InChIKey:
BWRWXZKKBAHKHP-UHFFFAOYSA-N

3606360736083609361036113612
75769–75789 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