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Molecule Identifiers
Molecular Properties

ID: 91267

SMILES:
C=C(C=CCC(C)=CCc1c(O)c(C)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.746

InChIKey:
SAVHMKMRPFLBRI-UHFFFAOYSA-N

ID: 91268

SMILES:
CC(C=Cc1ccc(=O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -15.477

InChIKey:
BABNWGKWJYVMHE-UHFFFAOYSA-N

ID: 91269

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 91270

SMILES:
CC1(C)Oc2cc(CO)c(C=O)c(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.658

InChIKey:
LTZXNONLGVSYMH-UHFFFAOYSA-N

ID: 91271

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.863

InChIKey:
CWGFWMXXEGYCLW-UHFFFAOYSA-N

ID: 91272

SMILES:
C12c3c(cc(CCCCC)cc3OC)OC(C)(C)C1C1C2C(C)([N+]#[C-])CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 367.533

CB1 binding score: -16.044

InChIKey:
WWYBFJPWLMASDF-UHFFFAOYSA-N

ID: 91273

SMILES:
CC1(O)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 91274

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CC21)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.015

InChIKey:
NBWPZXGUZJWYAA-UHFFFAOYSA-N

ID: 91275

SMILES:
CC(C)=CCCC(=CCCC1(C)Oc2c(c(O)cc(C(C(C(CC)C)=O)C)c2O)C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -18.181

InChIKey:
VQBYLBOBIXYFLY-UHFFFAOYSA-N

ID: 91276

SMILES:
C(C1=C(C)C2C(C(C)CC2)c2c(O)cc(CCCCC)cc21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -14.329

InChIKey:
VHQJKSXCFKTCMG-UHFFFAOYSA-N

ID: 91277

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 91278

SMILES:
C(C(=CCc1c(O)c2c(c(C(CCC)=O)c1O)OC(C)(C)C1C2CC(C)=CC1)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -14.399

InChIKey:
CCPMFXSGAOKGTB-UHFFFAOYSA-N

ID: 91279

SMILES:
c1(CCCCC)c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.231

InChIKey:
BUKSBPHYZWSHQR-UHFFFAOYSA-N

ID: 91280

SMILES:
O(C(c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.078

InChIKey:
HVDAAIVEXMJACW-UHFFFAOYSA-N

ID: 91281

SMILES:
C1(C(O)(C)C)CCC(C)(O)C2Oc3c(c(O)c(C(=O)OC)c(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.519

CB1 binding score: -16.555

InChIKey:
DMDVTKZQNTZBEO-UHFFFAOYSA-N

ID: 91282

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 91283

SMILES:
c1c(C2C(C3(C)C(C(C=C(CCC=C(C)C)C)O)O3)CCC(C)=C2)c(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.041

InChIKey:
SUMVEEAGAXCRJQ-UHFFFAOYSA-N

ID: 91284

SMILES:
C(=C(C)CCC=C(C)C)Cc1c(O)c(C(O)=O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 91285

SMILES:
O(C(=O)C)C1CC2(C)OC(=O)C(C)=C2CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -13.006

InChIKey:
LAFGLMKSNZLSAS-UHFFFAOYSA-N

ID: 91286

SMILES:
CC1C2=C3C(CC2)C(C)(C)Oc2c(c(O)cc(CCCCC)c23)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.502

InChIKey:
LXSKAIBTKFWPPA-UHFFFAOYSA-N

ID: 91287

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.967

InChIKey:
XTDYIISRNODHHT-UHFFFAOYSA-N

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91267–91287 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