Browse

Molecule Identifiers
Molecular Properties

ID: 131629

SMILES:
C(c1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 131630

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1C(=O)CC2C)c1ccc([N+](O)=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.621

CB1 binding score: -18.045

InChIKey:
XHNTWMOKZFKAPQ-UHFFFAOYSA-O

ID: 131631

SMILES:
CC1(C)Oc2c(c(O)c(O)cc2)C2C3C(C)(C(O)C(O)C=C3C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.562

InChIKey:
RVCDKXCKYKFWFD-UHFFFAOYSA-N

ID: 131632

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 131633

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 131634

SMILES:
C1CC2=C(C(=O)C1(C)O)c1c(O)c(C(=O)OC)c(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -15.344

InChIKey:
FWIHPUMIFCYHFD-UHFFFAOYSA-N

ID: 131635

SMILES:
C1(C)(C)C2CC=C(C(O)=O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 131636

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 131637

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131638

SMILES:
c1(O)c(C2C(C(C)=C)CC(=O)OC2(C)O)ccc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.633

InChIKey:
RXQGQSPXOUQGDE-UHFFFAOYSA-N

ID: 131639

SMILES:
CC(=CCc1c(OC(=O)C)cc(CCCCC)cc1OC(C)(C)C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.015

InChIKey:
LWWSBBZUOINBQM-UHFFFAOYSA-N

ID: 131640

SMILES:
c1(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(c1)C1C(C3C(O1)C(O)C(CO)=C3)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -14.316

InChIKey:
SRZVDVQZNUSLDC-UHFFFAOYSA-N

ID: 131641

SMILES:
OC(C)(C)c1ccc2c(c1)C(OCC)C1C(C(O)(CCC3C(C)(C)O3)C)CCC1(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -16.609

InChIKey:
SPORTUPPGKHCQW-UHFFFAOYSA-N

ID: 131642

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(=C)C)CC(O)C(C)(O)C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.987

InChIKey:
OMIFRASDXBNCNA-UHFFFAOYSA-N

ID: 131643

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(CCC=C(C)C)C(=O)OC1C(C)=CC2C=C(C)CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.793

CB1 binding score: -17.272

InChIKey:
OCWIKBKEJLJPTM-UHFFFAOYSA-N

ID: 131644

SMILES:
C12C3C(C(C)(C)Oc4cc(C)cc(O)c41)CCC(C)C23

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.087

InChIKey:
WYWULOGGDOEUCF-UHFFFAOYSA-N

ID: 131645

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131646

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131647

SMILES:
C1(C(C)C)=CCC(C)(C)C1c1c(O)cc(CC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.239

InChIKey:
OIMSLVRIBHYIBR-UHFFFAOYSA-N

ID: 131648

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.892

InChIKey:
INMKRQXHFZELSU-UHFFFAOYSA-N

ID: 131649

SMILES:
c1cc(CC=C(Cc2cc(C)co2)C)c(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -15.929

InChIKey:
LOFOXEKQNGZIRB-UHFFFAOYSA-N

◀6266626762686269627062716272▶
131629–131649 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