Browse

Molecule Identifiers
Molecular Properties

ID: 92170

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -14.902

InChIKey:
DDRXYQUMGKJELO-UHFFFAOYSA-N

ID: 92171

SMILES:
O1C2(C)C(O)C=C(C(C)=C)Cc3c(C(OC)=O)cc(Br)c(c31)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 557.481

CB1 binding score: -14.991

InChIKey:
DFQLJCHMMSBMFF-UHFFFAOYSA-N

ID: 92172

SMILES:
C1(CCC(=CCc2c(O)cc(CCCCCO)cc2O)C)=C(C)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.819

InChIKey:
SKURJVADLIVWFD-UHFFFAOYSA-N

ID: 92173

SMILES:
OCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -15.043

InChIKey:
YQIFJDIMFMWYLY-UHFFFAOYSA-N

ID: 92174

SMILES:
C1c2c(cc(CCCCC)c(C(=O)O)c2O)OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -19.505

InChIKey:
CBTOHSIQSGOXJB-UHFFFAOYSA-N

ID: 92175

SMILES:
O1c2c(c(O)cc(C)c2)C2CC(C)=CCC2C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.546

InChIKey:
XCTHAGDWFUYYDS-UHFFFAOYSA-N

ID: 92176

SMILES:
CCc1cc(O)cc2c1C=CC(CCC=C(C)CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.015

InChIKey:
UCXXAUBLIWLUPV-UHFFFAOYSA-N

ID: 92177

SMILES:
C1C2(C)C3(Cc4c(c5c(cc4OC)OC(C)(C)C3C5)O2)C=C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.369

InChIKey:
YTOXZZAWGPKQQS-UHFFFAOYSA-N

ID: 92178

SMILES:
C(=O)(C1Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.401

InChIKey:
ABRNMBKJPJOXKF-UHFFFAOYSA-N

ID: 92179

SMILES:
c1(-c2ccc(OC)cc2)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -16.778

InChIKey:
JZMJOOQGDHYNBU-UHFFFAOYSA-N

ID: 92180

SMILES:
C1(C)=CC2c3c(O)c(c(O)cc3OC)C(C)(C)C(CC=C(C)C)C23C1C(C)(O)C(C(C)C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -17.177

InChIKey:
FRGOAILFVFNIRS-UHFFFAOYSA-N

ID: 92181

SMILES:
CC(=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 92182

SMILES:
O1c2c(c(O)cc(CCCC)c2)C(C=C(C)C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.62

InChIKey:
JSINVLCYGACKAM-UHFFFAOYSA-N

ID: 92183

SMILES:
C(C)(=O)C1CC(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -12.366

InChIKey:
WBOSZPNINCELPF-UHFFFAOYSA-N

ID: 92184

SMILES:
c12c(cc(CCCCC)cc1O)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: 92185

SMILES:
C1CC2(C)C3(CC3c3c(O)cc(CCCCC)cc3O2)C(=C)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.239

InChIKey:
UTOWXMGQAYTEKU-UHFFFAOYSA-N

ID: 92186

SMILES:
C=C1C2CC(C)C(=O)C(c3c(O)cc(CCCCC)cc32)OC1(C)C=CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.361

InChIKey:
UBBKCMPZBWZYPD-UHFFFAOYSA-N

ID: 92187

SMILES:
CC(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.987

InChIKey:
DELCFTDTEGWZIV-UHFFFAOYSA-N

ID: 92188

SMILES:
C(C1(C)C(C(C)=C)CC=C(C)C1Cc1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.678

CB1 binding score: -18.034

InChIKey:
YSYHHZZOTCFGJB-UHFFFAOYSA-N

ID: 92189

SMILES:
c1(O)c(CCC)cc(OC)c2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.635

InChIKey:
KIFJVZBLOQGYNL-UHFFFAOYSA-N

ID: 92190

SMILES:
c1(OC)cc(CCCCC)cc2c1C1CC(C)CCC1C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.693

InChIKey:
STVCDUXUUOOKHA-UHFFFAOYSA-N

◀4387438843894390439143924393▶
92170–92190 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