Browse

Molecule Identifiers
Molecular Properties

ID: 74866

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 74867

SMILES:
O1c2c(c(O)c(C(=O)OC)c(CCCCC)c2)C2CCC(C)=CCCC(=C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.395

InChIKey:
FQGRMNIVVYSWID-UHFFFAOYSA-N

ID: 74868

SMILES:
CC(C)C(CCC(C)=CCc1c(O)c(C)cc(OC)c1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.502

InChIKey:
HPMRHGWXKZHVKR-UHFFFAOYSA-N

ID: 74869

SMILES:
c1(CCC)c2c(oc1)C(=O)c1c(CCCCC)cc(OC)c3c1C1CC(C)(CCC1C(C)(C)O2)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -15.839

InChIKey:
ODTQPVXRSATDJZ-UHFFFAOYSA-N

ID: 74870

SMILES:
CC1=CC2C(CC1O)C(C)(C)Oc1cc(C)c(C(=O)OC)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -15.158

InChIKey:
JCDAIHAPLITYQY-UHFFFAOYSA-N

ID: 74871

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.052

InChIKey:
LBQIJXCKRZTRPV-UHFFFAOYSA-N

ID: 74872

SMILES:
C(CC1=CCC(C(C)=C)C(c2c(O)cc(O)cc2C)C1)C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.929

InChIKey:
HOXJXPUQYMQKBM-UHFFFAOYSA-N

ID: 74873

SMILES:
C12=CC(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.499

InChIKey:
KRTUFCCVIVDZKZ-UHFFFAOYSA-N

ID: 74874

SMILES:
CC1c2c(cc(C)cc2)-c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -16.502

InChIKey:
VHXMOHNSKFLXCB-UHFFFAOYSA-N

ID: 74875

SMILES:
C(C)(C)=CCCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 74876

SMILES:
C1(C)CCC2=C(c3c(O)cc(CCCCC)cc3OC2(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 74877

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -15.909

InChIKey:
SYCLCCICVKOZCC-UHFFFAOYSA-N

ID: 74878

SMILES:
Oc1c(C(C(C)C)O)cc(O)c(CCc2cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc2)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: -13.865

InChIKey:
CTKNLBJDZGULJV-UHFFFAOYSA-N

ID: 74879

SMILES:
CC1(C)Oc2c(cccc2)C2C=C(C)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 74880

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 74881

SMILES:
C1(C)(C)C2Cc3c(O)cc(CCC)cc3OC2(C)CCC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.643

InChIKey:
BVSUUXNEFWZFAP-UHFFFAOYSA-N

ID: 74882

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 74883

SMILES:
CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CC=C(CO)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.502

InChIKey:
LPHXWIZZOONBJH-UHFFFAOYSA-N

ID: 74884

SMILES:
C1(C)(C)CCCC2(C)C(Cc3c(OS(=O)(O)=O)cc(CCC)cc3O)C(C)=CC(=O)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.597

CB1 binding score: -16.379

InChIKey:
OWZGPAMNOJTXOE-UHFFFAOYSA-N

ID: 74885

SMILES:
CC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 74886

SMILES:
Oc1c2c(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

3563356435653566356735683569
74866–74886 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