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Molecule Identifiers
Molecular Properties

ID: 63820

SMILES:
C1c2c(cc(O)cc2C)OC(CCC2C(C)(C)O2)(C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.053

InChIKey:
JAVXODRMSMPEAZ-UHFFFAOYSA-N

ID: 63821

SMILES:
Oc1c(C(O)=O)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -16.986

InChIKey:
OGEMOWBIBVHCNF-UHFFFAOYSA-N

ID: 63822

SMILES:
Oc1cc(CCCC)cc(O)c1C1CC(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -17.195

InChIKey:
YTKASQHCCXXSEW-UHFFFAOYSA-N

ID: 63823

SMILES:
c1(O)c(CC=C(C)C)c(O)ccc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.43

InChIKey:
OTJDQLKUGXMYHE-UHFFFAOYSA-N

ID: 63824

SMILES:
C12CC(C=O)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 63825

SMILES:
C1CC(C(O)=O)(C)C2C(C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.903

InChIKey:
WNHQIDFQVSAQOV-UHFFFAOYSA-N

ID: 63826

SMILES:
CC1(C)CCCC2(CO)c3c(O)cc(CCCCC)cc3OC21O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.977

InChIKey:
LCTWNEQWQNSCFB-UHFFFAOYSA-N

ID: 63827

SMILES:
Cc1c(CC)c(C)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -15.29

InChIKey:
PXJZHSZOJQZEOZ-UHFFFAOYSA-N

ID: 63828

SMILES:
C1C(C)=C(C)C2=Cc3c(cc(C)cc3O)OC(C)(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.562

InChIKey:
WQUVFWVFSHHLFD-UHFFFAOYSA-N

ID: 63829

SMILES:
C1CC(C)(C)C(CC23C(O)=C(C(=O)C4CC(C)C(=O)O4)Oc4c2c(O)cc(CCCCC)c4)C(O)(C)CC13

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.67

CB1 binding score: -12.696

InChIKey:
NURQWCLAMDNXLD-UHFFFAOYSA-N

ID: 63830

SMILES:
c1c(O)c2c(cc1C)OC(CCC=C(CCCC(CC)C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.929

InChIKey:
HYICOLXGUATYGL-UHFFFAOYSA-N

ID: 63831

SMILES:
C(CCCC)c1cc(O)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.266

InChIKey:
GEEMMNOKGSQDQI-UHFFFAOYSA-N

ID: 63832

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=O)C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -18.612

InChIKey:
SZCJLHOLHPDNCB-UHFFFAOYSA-N

ID: 63833

SMILES:
CC(C)=CCCC(C)=CCc1cc(O)cc(C)c1OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.936

InChIKey:
HBMZKHKKECAQEH-UHFFFAOYSA-N

ID: 63834

SMILES:
C(CC(C)C)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.199

InChIKey:
DSENOJLUFCIWLC-UHFFFAOYSA-N

ID: 63835

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.753

InChIKey:
IJZAYIIPNGXITO-UHFFFAOYSA-N

ID: 63836

SMILES:
OCC1CC(O)C(O)C(Oc2cc(CC=C(C)C)c(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.508

CB1 binding score: -15.058

InChIKey:
HLALLWPZCWFGTI-UHFFFAOYSA-N

ID: 63837

SMILES:
C1(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -18.466

InChIKey:
OOSGYAFEZCZRRA-UHFFFAOYSA-N

ID: 63838

SMILES:
C1=Cc2c(O)cc(CCCCC)c(C3C(C(C)(C)O)CCC(C)=C3)c(=O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -14.615

InChIKey:
OMZNPGVYLGPOMK-UHFFFAOYSA-N

ID: 63839

SMILES:
C1(C)(C)C(C(O)CC2(C)C3=C4C(C(O)Oc5c(c(O)cc(CCCCC)c5)C4CC2)CC3)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -15.434

InChIKey:
FDAQMTPWRKMDCI-UHFFFAOYSA-N

ID: 63840

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C(C)=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.142

InChIKey:
RBEAVAMWZAJWOI-UHFFFAOYSA-N

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63820–63840 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