Browse

Molecule Identifiers
Molecular Properties

ID: 128794

SMILES:
C1C(O)(C)CCC(C(C)(O)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.499

CB1 binding score: -17.383

InChIKey:
UJNBSTGOYAQUHG-UHFFFAOYSA-N

ID: 128795

SMILES:
C1CC(C(=C)C)C(c2c(O)c(C)cc(O)c2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 128796

SMILES:
C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c2CC=C(C)CCC=C1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.929

InChIKey:
HWIAXTWIRDPRCI-UHFFFAOYSA-N

ID: 128797

SMILES:
C#Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -12.446

InChIKey:
QGANSLUQRSWXNA-UHFFFAOYSA-N

ID: 128798

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CCC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.81

InChIKey:
LLTKMBNKQDHKJR-UHFFFAOYSA-N

ID: 128799

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.29

InChIKey:
NYLKWLOJWWOHSO-UHFFFAOYSA-N

ID: 128800

SMILES:
c1(C(C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.597

InChIKey:
KZPZGFWMJHNCTP-UHFFFAOYSA-N

ID: 128801

SMILES:
CC(=CCC1OC1(CC1c2c(O)cc(C)cc2OC1(C)C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 316.441

CB1 binding score: -14.605

InChIKey:
WJSSFQHYLBOPMC-UHFFFAOYSA-N

ID: 128802

SMILES:
c1(OC)cc(O)c(C(=O)C2C(C)(CC=C(C)C)Oc3cc(CCCCC)cc(OC)c32)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -15.018

InChIKey:
VRVIKRQEPYEYSC-UHFFFAOYSA-N

ID: 128803

SMILES:
c1c(O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1C(=O)C(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.784

InChIKey:
FXZLODYKQXQYCQ-UHFFFAOYSA-N

ID: 128804

SMILES:
c12c(OC)c(O)c(C)cc1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.944

InChIKey:
ODIFEGSTTMASNL-UHFFFAOYSA-N

ID: 128805

SMILES:
C1CC(C)CC(c2c(O)cc(CCCCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 128806

SMILES:
C1CC2(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C=CC(C)(CC=C(C)C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -17.276

InChIKey:
KHPVCHXAEFDHPB-UHFFFAOYSA-N

ID: 128807

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(=C(C)C)CCC3(C)OC1C(=O)C(C)C3C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.929

InChIKey:
CSBMRHCGRWVMGL-UHFFFAOYSA-N

ID: 128808

SMILES:
C(Cc1cc(Oc2cc(O)cc(C)c2)c(CC=C(C)C)c(O)c1)C1(C)C(C)=CCCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -14.285

InChIKey:
GGOPAKPNGYDYOE-UHFFFAOYSA-N

ID: 128809

SMILES:
c1(C)cccc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 128810

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -16.521

InChIKey:
DXPZKBAZNDMKDM-UHFFFAOYSA-N

ID: 128811

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCC=CC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.14

InChIKey:
JWWOBDMRCRSWSP-UHFFFAOYSA-N

ID: 128812

SMILES:
C12C(C)(C)C1C1C(C)(CC2)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.513

InChIKey:
AZIKMVNCPVVUFJ-UHFFFAOYSA-N

ID: 128813

SMILES:
C1(C)(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: 128814

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)CO)CCC(C)=C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.526

InChIKey:
CSUHWCSTDTUYGT-UHFFFAOYSA-N

◀6131613261336134613561366137▶
128794–128814 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