Browse

Molecule Identifiers
Molecular Properties

ID: 58339

SMILES:
CC1=C2C(=O)OC(C)(C)C3C2C(C)(c2c(C)c(C(C)C)cc(O)c2C3)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -12.502

InChIKey:
LYRJODRQMMAZBC-UHFFFAOYSA-N

ID: 58340

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.413

InChIKey:
CBPWDDBVKIFXRH-UHFFFAOYSA-N

ID: 58341

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 58342

SMILES:
C1(C)(C)OC2c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.013

InChIKey:
KTEDPYPWIYLCNI-UHFFFAOYSA-N

ID: 58343

SMILES:
C1(O)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.971

InChIKey:
AVSRPSTXJQXRSM-UHFFFAOYSA-N

ID: 58344

SMILES:
OCC1=C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.929

InChIKey:
ZEYBJHKOHYPPOG-UHFFFAOYSA-N

ID: 58345

SMILES:
C(CC)(c1c(C2C(C)CC(C)(C)C2C)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)n1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 425.657

CB1 binding score: Not available

InChIKey:
VTACXDVDJPZSEL-UHFFFAOYSA-N

ID: 58346

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -19.069

InChIKey:
ROXSKQXJGMFFHX-UHFFFAOYSA-N

ID: 58347

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 58348

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O)C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.142

InChIKey:
RBEAVAMWZAJWOI-UHFFFAOYSA-N

ID: 58349

SMILES:
C(C)C1(C)C(=O)C(C)Oc2c1c(OC)cc(CCCCC(O)C)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.172

InChIKey:
MZHYLHAYNUSAQJ-UHFFFAOYSA-N

ID: 58350

SMILES:
c1(CC=C(CCC=C(CO)CCC=C(C=C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.141

InChIKey:
LGLVCGMJOMXFLZ-UHFFFAOYSA-N

ID: 58351

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: 58352

SMILES:
CC(=CCCC1(C)Oc2c(c(OC)cc(CCCC)c2)CC1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.051

InChIKey:
KJQJGEISJFMPQT-UHFFFAOYSA-N

ID: 58353

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C1C2C(O)C(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -17.628

InChIKey:
FZPZZJPSHOYKIF-UHFFFAOYSA-N

ID: 58354

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.085

InChIKey:
DXSKUBRMLHRYFY-UHFFFAOYSA-N

ID: 58355

SMILES:
C(CCCc1cc2c(c(O)c1C)CC(C)(C)O2)CC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.476

InChIKey:
BCHTVTMNVYHWKB-UHFFFAOYSA-N

ID: 58356

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 58357

SMILES:
C(CC(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.61

InChIKey:
RRSOJODSSKABLV-UHFFFAOYSA-N

ID: 58358

SMILES:
Oc1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 58359

SMILES:
O1C2C(C)(CCC3C(C)(C)Oc4cc(C)cc(O)c43)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.115

InChIKey:
MLBOPXZYTSOKNK-UHFFFAOYSA-N

2776277727782779278027812782
58339–58359 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