Browse

Molecule Identifiers
Molecular Properties

ID: 121801

SMILES:
c12c(cc(C)cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.213

InChIKey:
ABQUTLCPMMOSHA-UHFFFAOYSA-N

ID: 121802

SMILES:
CC1=CC2c3c(ccc(O)c3)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 121803

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC2(C)C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.692

InChIKey:
XGQIWLKKVOGARI-UHFFFAOYSA-N

ID: 121804

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 121805

SMILES:
C12C(C(O)CC1=C)C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.676

InChIKey:
OCMHYEJAZGMVAQ-UHFFFAOYSA-N

ID: 121806

SMILES:
C(Cc1c(C2CC(=O)c3c(O)cc(CCCCC)cc3O2)CC(=C(C)C)C(=O)CC1C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -15.717

InChIKey:
MOQNVRDJVZIWTP-UHFFFAOYSA-N

ID: 121807

SMILES:
C(CC(=CCCC1(C)Oc2c(C)cc(O)cc2C=C1)C)CC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.815

InChIKey:
KATNVCHMOJEYCU-UHFFFAOYSA-N

ID: 121808

SMILES:
C1C(C(=C)C)C(c2c(O)cc(C(OC)=O)c(CCCCC)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.034

InChIKey:
MUDBSQKSZTXXKP-UHFFFAOYSA-N

ID: 121809

SMILES:
c1c(OC)c(C2C=C(C)CCC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.829

InChIKey:
FPBTVEQKCBCFLI-UHFFFAOYSA-N

ID: 121810

SMILES:
c1(CCCO)cc2c(c(OC)c1)OC(C)(C)C1C(CC(C)=CC1)C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -12.458

InChIKey:
CNICPMZCZWGTMP-UHFFFAOYSA-N

ID: 121811

SMILES:
C1(C)(C)OC(C)(CCc2cc(O)cc(C)c2)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -11.866

InChIKey:
NUJZXWKMJRAXEU-UHFFFAOYSA-N

ID: 121812

SMILES:
C1(O)C(C)(O)CCC(C(C)C)C1c1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.553

CB1 binding score: -15.177

InChIKey:
NCTVLRTVCNXWKH-UHFFFAOYSA-N

ID: 121813

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 121814

SMILES:
C12=CCC3C(C)(C)Oc4cc(CCCCC)cc(OC)c4C3C1CCC1C(C)(C)CCCC21C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.734

CB1 binding score: -14.067

InChIKey:
XAWPCCGOMSBMMD-UHFFFAOYSA-N

ID: 121815

SMILES:
CC(C)c1ccc(C)c2c1-c1c(O)cc(CCCCC)cc1OC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -15.113

InChIKey:
GFTUXOULKQAKSH-UHFFFAOYSA-N

ID: 121816

SMILES:
Oc1c(CC=C(CCC=C(CC(C=C(C)C)O)C)C)c(OC(=O)C)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -16.476

InChIKey:
ZOAHDAORGMTPMN-UHFFFAOYSA-N

ID: 121817

SMILES:
C1CC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C(C)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -14.731

InChIKey:
LQSOUFVHFAOEBM-UHFFFAOYSA-N

ID: 121818

SMILES:
C=C(C)C(O)CCC(=CCOc1cc(O)cc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.504

InChIKey:
PHIULMLZQCVJAY-UHFFFAOYSA-N

ID: 121819

SMILES:
C1C2C3(Oc4c(c(O)cc(CCCCC)c4)CC(C)(C)C=C1C)C(C(C)C)CCC23C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -13.355

InChIKey:
JEPMUGFWMVSZHV-UHFFFAOYSA-N

ID: 121820

SMILES:
C1(C)(CC)Oc2c(cc(O)c(O)c2)C2C1CC=C(CCC=C(C)CCC=C(C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.258

InChIKey:
XWDYKEDWZWQNPV-UHFFFAOYSA-N

ID: 121821

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

◀5798579958005801580258035804▶
121801–121821 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