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Molecule Identifiers
Molecular Properties

ID: 32236

SMILES:
CC1(C)C(c2c(O)cc(CCCCC)cc2O)CC2C(C)(C1C=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.574

InChIKey:
NASLZMOORREKOX-UHFFFAOYSA-N

ID: 32237

SMILES:
O=C(c1c(O)c(C=O)cc2c1C1C(CCC(C)=C1)C(C)(C)O2)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -14.839

InChIKey:
GMOFRSJNAPNCKI-UHFFFAOYSA-N

ID: 32238

SMILES:
c1(O)c(C(=O)C(CC)C)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.012

InChIKey:
NSUADMIJIWCJNM-UHFFFAOYSA-N

ID: 32239

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)(O)C(O)C=C1C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -16.202

InChIKey:
JGAMFMSVJRDLHI-UHFFFAOYSA-N

ID: 32240

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.209

InChIKey:
MHRLPVDZWLLOLU-UHFFFAOYSA-N

ID: 32241

SMILES:
CC1=C(O)C2=CC(O)(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.098

InChIKey:
LFTBDILIOQLVDD-UHFFFAOYSA-N

ID: 32242

SMILES:
c12c(c(O)cc(CCCCC)c1)C1=C(C(C)(C)O2)CCC(C)(C=CC=C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -13.281

InChIKey:
WRSDBQQLMUUTSO-UHFFFAOYSA-N

ID: 32243

SMILES:
c1c2c(cc(CCCCC)c1)OC(CCC=C(C)CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -18.039

InChIKey:
GRVCUBBHEHRQOC-UHFFFAOYSA-N

ID: 32244

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)(C)C2C(O1)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.528

InChIKey:
SXSNKNOFQPAUNN-UHFFFAOYSA-N

ID: 32245

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 32246

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C(=O)OC)=CC=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.891

InChIKey:
XWMYIINJJODMMH-UHFFFAOYSA-N

ID: 32247

SMILES:
CC=Cc1c(OC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.62

InChIKey:
KXPZROVDLPCXKV-UHFFFAOYSA-N

ID: 32248

SMILES:
c1(O)c(C=O)cc2c(c1C)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.395

InChIKey:
QYLKAKHSCQYGJM-UHFFFAOYSA-N

ID: 32249

SMILES:
C(C)(C1CCC(O)(C)C2C1c1c(O)cc(CCCCC)cc1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.961

InChIKey:
CNKSTABSFLNANJ-UHFFFAOYSA-N

ID: 32250

SMILES:
c1(CCCC)c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.594

CB1 binding score: -16.668

InChIKey:
NMQZVNRCRWAYOT-UHFFFAOYSA-N

ID: 32251

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 32252

SMILES:
C1C(O)C(C)=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -12.669

InChIKey:
UGEDCOQMORYTGO-UHFFFAOYSA-N

ID: 32253

SMILES:
CC(CC(O)C(=O)c1c(O)c(C=O)c2c(c1)C1C(C(C)(C)O2)CC(O)C(C)(C)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.502

CB1 binding score: -15.88

InChIKey:
UXGMDPFKYXCXKP-UHFFFAOYSA-N

ID: 32254

SMILES:
C(CCCCCCCCCCC)(OCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.666

CB1 binding score: -16.052

InChIKey:
CYCYCMZSYSXJPX-UHFFFAOYSA-N

ID: 32255

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2)C2C(CC1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.216

InChIKey:
PMGZLMRNGSBGDD-UHFFFAOYSA-N

ID: 32256

SMILES:
O=C1c2c(O)c(CCCCC)cc(O)c2C2C(C(C)(CCC=C(C)C)O)CCC(C)(O)C2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.611

CB1 binding score: -15.441

InChIKey:
PCJKQEPZMCMSKU-UHFFFAOYSA-N

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32236–32256 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