Browse

Molecule Identifiers
Molecular Properties

ID: 129319

SMILES:
CC1(C)CCC(O)c2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.007

InChIKey:
UYRSTGQZRSFVDV-UHFFFAOYSA-N

ID: 129320

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129321

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.396

InChIKey:
ROKHCAVXVNVRKU-UHFFFAOYSA-N

ID: 129322

SMILES:
CC(C)=C1C(=O)CC(C)CCOc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.472

InChIKey:
NIWVQZBITNCEAA-UHFFFAOYSA-N

ID: 129323

SMILES:
c12c(cc(CCCCC)cc1OC)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.06

InChIKey:
KSDSETBZUIJIFF-UHFFFAOYSA-N

ID: 129324

SMILES:
C(Cc1cc(O)c(C2CC(C)CC=C2c2c(O)cc(CCCCC)cc2OC)cc1OC)C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -14.041

InChIKey:
DBKSFLJYHRMVMH-UHFFFAOYSA-N

ID: 129325

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.224

InChIKey:
SHHXFHZRMBWSDV-UHFFFAOYSA-N

ID: 129326

SMILES:
CC(C1CCC(=C)C2(O)Oc3cc(CCCCC)cc(O)c3C(=O)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.568

InChIKey:
UQHDFQOFWKIAQF-UHFFFAOYSA-N

ID: 129327

SMILES:
c1(CC(C)CC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.608

InChIKey:
GGLDFPKGLVSAPS-UHFFFAOYSA-N

ID: 129328

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129329

SMILES:
CC1c2c(O)cc(CCCCC)cc2OC(C)(C)C(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -16.829

InChIKey:
WQVBQCBPMGDFLF-UHFFFAOYSA-N

ID: 129330

SMILES:
CC12CCC(C1(CO)C)Oc1cc(CCCCC)cc(OCCCC(O)=O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -12.889

InChIKey:
HQHNXAASPVHWMT-UHFFFAOYSA-N

ID: 129331

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.334

InChIKey:
IBMAVYDRRHOYLE-UHFFFAOYSA-N

ID: 129332

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.724

InChIKey:
NWHTZFJTCPSMLW-UHFFFAOYSA-N

ID: 129333

SMILES:
C1C(C)=CC2C1C(C)(C)Oc1cc(CCCCC[N+](C)(C)C)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.546

CB1 binding score: -15.588

InChIKey:
JLOYVWLRIYYNDP-UHFFFAOYSA-O

ID: 129334

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 129335

SMILES:
C(CCCC)c1cc(O)c(C2CC(C)=CCC2C(OC)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.027

InChIKey:
MVIUIBSDIVZRBK-UHFFFAOYSA-N

ID: 129336

SMILES:
CCOC(=O)CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.239

InChIKey:
VUAUBJMKIINVBK-UHFFFAOYSA-N

ID: 129337

SMILES:
C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 129338

SMILES:
C12c3c(O)cc(C)cc3OC(C)(C)C1CCC(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.387

InChIKey:
IGANFYFOHLCKIW-UHFFFAOYSA-N

ID: 129339

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.379

InChIKey:
RKYIEWPMDOSLPX-UHFFFAOYSA-N

◀6156615761586159616061616162▶
129319–129339 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