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Molecule Identifiers
Molecular Properties

ID: 84295

SMILES:
C1CC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C=C(C(=O)O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.276

InChIKey:
VVZIIBPSVSIECP-UHFFFAOYSA-N

ID: 84296

SMILES:
CC(C(CC(O)C(O)(C)O)CCC=C(C)C)=CCCC1(C)C=Cc2c(cc(CCCCCO)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.719

CB1 binding score: -13.97

InChIKey:
CNWWUHCVICPLKH-UHFFFAOYSA-N

ID: 84297

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)C2)CC(C)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.333

InChIKey:
IDGLNGYKQUXOEM-UHFFFAOYSA-N

ID: 84298

SMILES:
CC1(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: 84299

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C2C2C1C(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.552

InChIKey:
FLBCOYVTOSRTNO-UHFFFAOYSA-N

ID: 84300

SMILES:
C(C(C(=O)OCCC(C)CCCC(C)C)C1CC(C)=CC(c2c(O)cc(CCCC)cc2O)O1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.747

CB1 binding score: -16.015

InChIKey:
VDOPOPAUOBQENZ-UHFFFAOYSA-N

ID: 84301

SMILES:
C(N)(CC)c1c(C=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 329.44

CB1 binding score: -14.904

InChIKey:
ZJXDNSSFCUDQRU-UHFFFAOYSA-N

ID: 84302

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1C1CC=C(C)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -13.989

InChIKey:
GKMZWNVCCYDXLY-UHFFFAOYSA-N

ID: 84303

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 84304

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.374

InChIKey:
BZBMWLALWUJHJQ-UHFFFAOYSA-N

ID: 84305

SMILES:
C(C1=CC2C(=C(C)CCC3(C)C(=O)C(CC(C)=C)C(=O)C(O)(C)C32)O1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -17.182

InChIKey:
CXHDFFHEUXJHPU-UHFFFAOYSA-N

ID: 84306

SMILES:
C(=S)C1=CC(c2c(Cl)c(O)cc(C)c2Cl)OC2(C)C1C1(C)C(CC2)C(C)(C)OC(=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 497.484

CB1 binding score: -14.884

InChIKey:
FGBMJOCLIXIHMN-UHFFFAOYSA-N

ID: 84307

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC=C(CCC=C(CCC=C(C)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 490.772

CB1 binding score: -13.909

InChIKey:
RKQGNKCLXPBQLA-UHFFFAOYSA-N

ID: 84308

SMILES:
C1(CC(C)=CCc2cc(OC)cc(C)c2O)OC(C)(C)C2=C1CC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.538

InChIKey:
YQQYMRQYVFXJET-UHFFFAOYSA-N

ID: 84309

SMILES:
c12c(O)cc(CCCCC=C)cc1OC(C)(C)C1C2C(O)C(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.502

InChIKey:
VOEIAONLASCHRH-UHFFFAOYSA-N

ID: 84310

SMILES:
C1(C)(C)Oc2cc(C)c3c(c2CCCCC)OC(C)(C)C2CCC(C)C2C31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.302

InChIKey:
SBRVUVLWYPUGLJ-UHFFFAOYSA-N

ID: 84311

SMILES:
C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 84312

SMILES:
O(C(C(C)C=C(C)C(O)=O)C(c1c2c(cc(C)c1)OC(C)(C)C1CCC(C)=CC12)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.678

CB1 binding score: -15.568

InChIKey:
MNWABFYEIYTYBX-UHFFFAOYSA-N

ID: 84313

SMILES:
CCCCCCCCCc1cc2c(c(O)c1)cc(O)c(CC=C(C)CCC=C(C)C)c2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -12.463

InChIKey:
NTEWFSXNVPKZGI-UHFFFAOYSA-N

ID: 84314

SMILES:
C=C(C1CCC(=C)CC1c1c(O)cc(CCCC(O)C)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.646

InChIKey:
RITPGKWUZPBRHI-UHFFFAOYSA-N

ID: 84315

SMILES:
c1(-c2c(CCC)c(OC)ccc2O)c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -13.749

InChIKey:
IVLZDRJNCFQQAW-UHFFFAOYSA-N

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84295–84315 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