Browse

Molecule Identifiers
Molecular Properties

ID: 132427

SMILES:
C12c3c(O)cc(C)cc3OC(C1C(C)=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -16.527

InChIKey:
SBHUBLKWVYCOHV-UHFFFAOYSA-N

ID: 132428

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 132429

SMILES:
c1c(C(=O)OC)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.509

InChIKey:
YXRXDJDIHUYQIC-UHFFFAOYSA-N

ID: 132430

SMILES:
c1(OP(=O)(O)O)cc(CC=C(C)CCC=C(C)C)c(O)cc1C(C(=O)O)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.446

CB1 binding score: -16.365

InChIKey:
GATMOXRMHFGJCQ-UHFFFAOYSA-N

ID: 132431

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.21

InChIKey:
QATRADYGJXWTPV-UHFFFAOYSA-N

ID: 132432

SMILES:
C12C(C)(C)OC(C)(CC1)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.157

InChIKey:
NONVDKOZJCRROH-UHFFFAOYSA-N

ID: 132433

SMILES:
C(C12Cc3c(O)cc(C)cc3OC1(C)CC=CC(C)(C)O2)CC(O)C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -11.791

InChIKey:
XFEKFSSSQVPKAJ-UHFFFAOYSA-N

ID: 132434

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132435

SMILES:
Oc1cc(CC=C(C)CCC=C(C)C)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -17.917

InChIKey:
BYYZHJIATPYDTN-UHFFFAOYSA-N

ID: 132436

SMILES:
C1(C)(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: 132437

SMILES:
C1CC(C)=CC(O)C2C(C)(C)Oc3cc(C)cc(O)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.501

InChIKey:
KGJTZUYKHHSQKD-UHFFFAOYSA-N

ID: 132438

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 132439

SMILES:
c1(CNC(=O)c2cccs2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 397.54

CB1 binding score: -15.341

InChIKey:
CXUUIEWEVHKTAH-UHFFFAOYSA-N

ID: 132440

SMILES:
c1(CC2C=C(C)C(O)CC2C(C)=C)c(O)cc(CC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.455

InChIKey:
BUBXUOXUJVYHAX-UHFFFAOYSA-N

ID: 132441

SMILES:
c1(O)cc(C2C=C(C)CCC2C(=CC=CC(C)(O)C)C)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.438

InChIKey:
KBNNORZYOPQCCS-UHFFFAOYSA-N

ID: 132442

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 132443

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)(O)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 132444

SMILES:
C1(C)CCC2C=CC(C)(OCC)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.087

InChIKey:
GHVINPFCFSZQGP-UHFFFAOYSA-N

ID: 132445

SMILES:
Oc1cc2c(c(OC)c1OC)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.393

InChIKey:
MFSNUNSWCXUQGE-UHFFFAOYSA-N

ID: 132446

SMILES:
C12C(c3c(O)cc(C)cc3OC1(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.254

InChIKey:
LEVZPSFEQRWODA-UHFFFAOYSA-N

ID: 132447

SMILES:
C12(O)CC(CC)C(=O)CC1c1cc(O)ccc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.59

InChIKey:
FDZBBIMNGNYBOI-UHFFFAOYSA-N

◀6304630563066307630863096310▶
132427–132447 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