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Molecule Identifiers
Molecular Properties

ID: 1639

SMILES:
CC1=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 1640

SMILES:
C(CCCc1cc2c(c(O)c1)C1CC(O)(CCC1O)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -16.079

InChIKey:
QYSFZBGZURUELW-UHFFFAOYSA-N

ID: 1641

SMILES:
C(CC)CCc1ccc2c(c1O)C1C(C(C)(C)O2)CC=C(CCC(=O)C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.237

InChIKey:
CAWRBLTVFVHHPR-UHFFFAOYSA-N

ID: 1642

SMILES:
C1C2CC23c2c(cc(CCCCC)cc2O)OC(C)(C)C13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: Not available

InChIKey:
QLTDDDRAUTUWAL-UHFFFAOYSA-N

ID: 1643

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C(CC(CO)CC2)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -14.163

InChIKey:
KAFCJJMIWDKCTG-UHFFFAOYSA-N

ID: 1644

SMILES:
Oc1cc(CCC)cc2c1C(=O)OC(C)(C)C1CCC(C(O)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -16.725

InChIKey:
WJIOHVXAXABWPC-UHFFFAOYSA-N

ID: 1645

SMILES:
C12C(C)(CC3C(=C1)C(=O)C(C)=CC3)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -15.526

InChIKey:
LFTPIBDQEHBJTJ-UHFFFAOYSA-N

ID: 1646

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 1647

SMILES:
c1(O)c(C2CC(C)=CC(c3cc(CCN(C)C)ccc3OC)C2C(=C)C)c(C(C)C)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 461.69

CB1 binding score: -14.622

InChIKey:
HOHSQOBMBJJQIY-UHFFFAOYSA-N

ID: 1648

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)CC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.394

InChIKey:
RBRTZLBKEHSIEX-UHFFFAOYSA-N

ID: 1649

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(OC(C)=O)c3C(CC2)C=C(C)CC1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -16.352

InChIKey:
SLEWDECGSVCBMC-UHFFFAOYSA-N

ID: 1650

SMILES:
CC(C)C(C)=CCC(=CCCC1(C)Oc2c(C)cc(O)cc2C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.723

InChIKey:
WCQHDOUNWJZCLL-UHFFFAOYSA-N

ID: 1651

SMILES:
C(C(c1c(C=CC)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=O)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -17.145

InChIKey:
XFOISWLVLZHUJV-UHFFFAOYSA-N

ID: 1652

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CC=C(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.027

InChIKey:
BJDDEBBYIXPOTQ-UHFFFAOYSA-N

ID: 1653

SMILES:
Oc1c(C(C)C(O)C(CC)C)c(O)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.664

InChIKey:
NPKYTWKQQGYWPR-UHFFFAOYSA-N

ID: 1654

SMILES:
CC(C)C(C(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.118

InChIKey:
JEIYYKHDXGXUDL-UHFFFAOYSA-N

ID: 1655

SMILES:
C1C(C(C)(C)C)C2Cc3c(cc(C)cc3O)OC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.588

InChIKey:
VYKJHHGWNZAEAH-UHFFFAOYSA-N

ID: 1656

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 1657

SMILES:
CC(C)=CC(=O)Oc1ccc(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.907

InChIKey:
WFCYIEPLUCNYAT-UHFFFAOYSA-N

ID: 1658

SMILES:
c1c(C2C(=O)C(C)=CC3C(C(=C)C)CCC(C)C32)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.033

InChIKey:
XPQIGQNZYQNYAF-UHFFFAOYSA-N

ID: 1659

SMILES:
c12c(c(O)cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

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1639–1659 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