Browse

Molecule Identifiers
Molecular Properties

ID: 133582

SMILES:
c1(O)cc(CCC)cc2c1C1C(=C(C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.668

InChIKey:
MNCLPSNXTHIMAY-UHFFFAOYSA-N

ID: 133583

SMILES:
O(c1cc(CCC)ccc1O)C1C=C(C)C(CC=C(C)C)CC1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.225

InChIKey:
KSCMFNMDSXXWLX-UHFFFAOYSA-N

ID: 133584

SMILES:
c1(CC2C(C(C)=CCC=C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.605

InChIKey:
IHEJHVXXKYBGRO-UHFFFAOYSA-N

ID: 133585

SMILES:
C1(C(CCC(C(=C)C)O)=C)CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.802

InChIKey:
OZAXSWCNOGLTFE-UHFFFAOYSA-N

ID: 133586

SMILES:
C1(O)C(C)=CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.5

InChIKey:
RPLKKIAMEMEPBV-UHFFFAOYSA-N

ID: 133587

SMILES:
C(Cc1c(CC=C(C)C)c(O)cc(C2C=C(C)CCC2C(=C)C)c1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -14.783

InChIKey:
KYUWJRKHIWMRHA-UHFFFAOYSA-N

ID: 133588

SMILES:
COC(CCc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)=C)C(=O)O2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -17.51

InChIKey:
QDGLAVYAAITIBF-UHFFFAOYSA-N

ID: 133589

SMILES:
C1(C(C=CC2(C)OC(C)(C)C(O)CC2)=C)C(c2c(O)cc(CCCC(=O)O)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -16.527

InChIKey:
CYHHZTWMKWATNN-UHFFFAOYSA-N

ID: 133590

SMILES:
Brc1c2c(c(O)cc1CC(CCC=C(C)C)(C)O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 463.456

CB1 binding score: Not available

InChIKey:
ZOVGEKZIBJVPQH-UHFFFAOYSA-N

ID: 133591

SMILES:
C(C1(C)C=Cc2c(cc(CCCCC)cc2O)O1)(OC)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.608

InChIKey:
SJJJQYLFSMOINI-UHFFFAOYSA-N

ID: 133592

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -17.731

InChIKey:
CGZLXAWPOJSOQB-UHFFFAOYSA-N

ID: 133593

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.84

InChIKey:
CIDSACROHFISMP-UHFFFAOYSA-N

ID: 133594

SMILES:
CC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.507

CB1 binding score: -17.229

InChIKey:
DEJBVDPQQDKBBA-UHFFFAOYSA-N

ID: 133595

SMILES:
O(c1cc(O)c(C2C(C(C)=C)CC(O)C(C)=C2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.898

InChIKey:
GAFJPKUQMKPOLS-UHFFFAOYSA-N

ID: 133596

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.962

InChIKey:
UPOQLPCADSEKTH-UHFFFAOYSA-N

ID: 133597

SMILES:
O(C1C2C(C)(Oc3c1c(O)cc(CCCCC)c3)C(C(C)C)CCC2(O)C)C1CC(O)C(O)C(CO)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.679

CB1 binding score: -11.327

InChIKey:
FFPLGCYYXMCBMS-UHFFFAOYSA-N

ID: 133598

SMILES:
c12c(cc(C)cc1O)OC1(CO)CCC(C(=C)C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.415

InChIKey:
SEZGOYOMIVNMJR-UHFFFAOYSA-N

ID: 133599

SMILES:
CC1=CCC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 133600

SMILES:
CC1(C)C(CCO)C2(COC(=O)C)C(O)C1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.519

CB1 binding score: -14.756

InChIKey:
SIPNDVZWMUKNDE-UHFFFAOYSA-N

ID: 133601

SMILES:
CCOc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.158

InChIKey:
KDOUBQGHCNVYFP-UHFFFAOYSA-N

ID: 133602

SMILES:
c1(O)c(O)c(CCCCC)cc2c1C1C(C(C)(C)O2)C=CC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.396

InChIKey:
FMSRAZMIKZBRQO-UHFFFAOYSA-N

◀6359636063616362636363646365▶
133582–133602 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