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Molecule Identifiers
Molecular Properties

ID: 119491

SMILES:
C(Cc1c(OC)cc(O)c2c1OC1(C)C(C(C(C)C)CC1)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.115

InChIKey:
CQFUZBYAXAFDKJ-UHFFFAOYSA-N

ID: 119492

SMILES:
c1(O)c(C(C(C)CC)=O)c2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.604

InChIKey:
VWTHNNZUPUPSLT-UHFFFAOYSA-N

ID: 119493

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC(C(=C)C)C(C)(C=C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.015

InChIKey:
BZCYBALILRKHSW-UHFFFAOYSA-N

ID: 119494

SMILES:
C1(C)(C)C2=C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.931

InChIKey:
ACIYIPIYUKZQNF-UHFFFAOYSA-N

ID: 119495

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=C(C)CCC=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.003

InChIKey:
XGPAVIZRFXIUTO-UHFFFAOYSA-N

ID: 119496

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -18.149

InChIKey:
PWNRYJVNGXSCQW-UHFFFAOYSA-N

ID: 119497

SMILES:
c1(C)c2c(cc(CCCCC)c1)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -16.88

InChIKey:
AEWXQLQNYJFYBZ-UHFFFAOYSA-N

ID: 119498

SMILES:
C(CCC(=O)OC1C=C(C)C(O)CC1C(=C)C)c1cc(C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: Not available

InChIKey:
BVJMSICOUQYTMU-UHFFFAOYSA-N

ID: 119499

SMILES:
Oc1c2c(cc(CCCCC)c1)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: 119500

SMILES:
Oc1cc(CNC)cc(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 271.404

CB1 binding score: -17.758

InChIKey:
ASBGNORTBBTWCU-UHFFFAOYSA-N

ID: 119501

SMILES:
C12(C)Oc3c(c(CCCCC)cc(O)c3O)CC1CC(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.429

InChIKey:
SRGXPHMVUCXNRO-UHFFFAOYSA-N

ID: 119502

SMILES:
CC(=O)OC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.401

CB1 binding score: -15.064

InChIKey:
WMUVDCYIQQIGFJ-UHFFFAOYSA-N

ID: 119503

SMILES:
c12c(c(OC)cc(C)c1)C1C(C(C)(C)Oc3cc(C)cc(O)c31)OC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -15.508

InChIKey:
KYKGNXKMBGQOGM-UHFFFAOYSA-N

ID: 119504

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 119505

SMILES:
C(CC1(C)C(O)Cc2c(c(C)c(C)c(O)c2)O1)Cc1cc(C2C(C(C)=C)CCC(C)=C2)cc(C=CC(O)=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.705

CB1 binding score: -14.607

InChIKey:
IOMFMAUJWFDBAB-UHFFFAOYSA-N

ID: 119506

SMILES:
CC(C1CCC(C)=CCCC(c2c(O)cc(CCCCC)cc2OC)C1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.078

InChIKey:
BVRJXGKDUSOPKY-UHFFFAOYSA-N

ID: 119507

SMILES:
C1=C(C)C(O)C(O)C=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.749

InChIKey:
JFSAWRPONVWPLC-UHFFFAOYSA-N

ID: 119508

SMILES:
c1(C(O)(C)C)ccc2c3c1OC(C)(C)C1CCC(C)(O3)C(C)C1C(CCC)C(C)=C(OC)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -16.146

InChIKey:
PDSAZPZQZSGBMB-UHFFFAOYSA-N

ID: 119509

SMILES:
C(=O)C(C)=CCC1c2c(O)cc(CCCCC)cc2OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.502

InChIKey:
CBELXWSQMVFIIT-UHFFFAOYSA-N

ID: 119510

SMILES:
C12=CC(C)CCC1C(C)(C)Oc1c2c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.82

InChIKey:
PIIAJIAVPVKMDD-UHFFFAOYSA-N

ID: 119511

SMILES:
C(Cc1cc(O)c(C2CC(C(C)=C)CC3C2=COC(=O)C3=C3C=CC(C)(C)O3)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.548

CB1 binding score: -13.331

InChIKey:
WTMJAILNSHKGTP-UHFFFAOYSA-N

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119491–119511 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