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Molecule Identifiers
Molecular Properties

ID: 37423

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 37424

SMILES:
C(C)c1c(C=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.609

InChIKey:
YJTIECZLQLOENY-UHFFFAOYSA-N

ID: 37425

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CC(O)C(C(C)(OC)C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -14.526

InChIKey:
CDXPKSXUNFFCCU-UHFFFAOYSA-N

ID: 37426

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C(CCC=C(C)C)(C)C1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.82

InChIKey:
YCLPCNSIROEBDK-UHFFFAOYSA-N

ID: 37427

SMILES:
C1(c2c3c4c(cc(O)c3O)OC(C(C)(O)C)C4)cc(O)c2C(c2c(O)cc(CCCCC)cc2O)C(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.665

CB1 binding score: -11.754

InChIKey:
NAJKAFMLBWEMSI-UHFFFAOYSA-N

ID: 37428

SMILES:
c1(O)ccc(CCc2cc(O)c3c(c2)OC(C)(C)C2C3C(C)(C)CCC2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -13.053

InChIKey:
ABCGHOXUJUYSGY-UHFFFAOYSA-N

ID: 37429

SMILES:
CC1=CC(c2cc(CCCCC)cc(O)c2O)C(C(CCC=C(C)C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.6

InChIKey:
OMLAQAXJARLUJQ-UHFFFAOYSA-N

ID: 37430

SMILES:
C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 37431

SMILES:
C1(=O)C(C)N(C)C(=O)C(C(CC)C)c2cc3c(c(O)c21)OC(C)(C)C1CCC(C)=CC31

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 425.569

CB1 binding score: -15.099

InChIKey:
SHECDHBUUPIJTK-UHFFFAOYSA-N

ID: 37432

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.237

InChIKey:
KRYPKHKSTDENIH-UHFFFAOYSA-N

ID: 37433

SMILES:
C1(C)(C)C2(O)C(CC(C=O)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.484

InChIKey:
KZKQYEGCJUVETA-UHFFFAOYSA-N

ID: 37434

SMILES:
c1c(CCCCC)cc2c(c1O)OC(CCC=C(C)C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.988

InChIKey:
LBUHEQBCJWBYPP-UHFFFAOYSA-N

ID: 37435

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 37436

SMILES:
C(CC(C)=CCc1c(Cc2c(O)c(C)cc(O)c2)Oc2cc(O)cc(C)c2C1)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.576

CB1 binding score: -12.545

InChIKey:
YZIOVTUTUOYKBW-UHFFFAOYSA-N

ID: 37437

SMILES:
C1=CC(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(O)=O)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.718

InChIKey:
BEMDFPISFCAMPJ-UHFFFAOYSA-N

ID: 37438

SMILES:
C1=CC(C)(CCC(=O)C(C)C)Oc2cc(C)c(Cl)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -14.679

InChIKey:
AUTMJBWHUBJGEN-UHFFFAOYSA-N

ID: 37439

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37440

SMILES:
c1(O)cc(CCCC)cc2c1OC(CC1C(C)=CC(=O)C3C(C)(C)CCCC13C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.429

InChIKey:
BXSORDCMUCWPHE-UHFFFAOYSA-N

ID: 37441

SMILES:
C(CC=C(C)C)C1(C)Oc2c(c(O)cc(CCCCCC)c2)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.929

InChIKey:
WCCXCZJRWJMEJJ-UHFFFAOYSA-N

ID: 37442

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 37443

SMILES:
C1C(O)C(C(=O)O)C2C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.022

InChIKey:
NGDBHKXKZIZTLP-UHFFFAOYSA-N

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37423–37443 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