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Molecule Identifiers
Molecular Properties

ID: 141772

SMILES:
Cc1c(CC(C2=CCC(C(C)=C)OC2=O)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.068

InChIKey:
DKMBBTDOXIEEHQ-UHFFFAOYSA-N

ID: 141773

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141774

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)=CC(=O)C1(C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.706

InChIKey:
XMDHRCUUPCCWTH-UHFFFAOYSA-N

ID: 141775

SMILES:
C1C(CO)(C)Oc2c(c(O)cc(CCCCC)c2)C1C=C(C)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.592

CB1 binding score: -14.843

InChIKey:
MNGNOUBLGAFQBV-UHFFFAOYSA-N

ID: 141776

SMILES:
c1(-c2ccc(C(O)=N)cc2)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 363.457

CB1 binding score: -13.673

InChIKey:
DGLREFQPEHMKOT-UHFFFAOYSA-N

ID: 141777

SMILES:
O=C(OC1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C=C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -18.504

InChIKey:
BZQDUJNZJKZGFB-UHFFFAOYSA-N

ID: 141778

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(CCc2cc(O)cc(O)c2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.484

CB1 binding score: -15.191

InChIKey:
IEUFHQGGADZCCV-UHFFFAOYSA-N

ID: 141779

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C=C(C)CC1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.52

InChIKey:
OLQWKGUDDADKCU-UHFFFAOYSA-N

ID: 141780

SMILES:
N(c1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 451.695

CB1 binding score: -16.347

InChIKey:
JGWXHWPIFFPIGA-UHFFFAOYSA-N

ID: 141781

SMILES:
C1(c2c(O)cc(CCC)cc2O)C(C(C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 141782

SMILES:
C1=CC(C)(O)CC(c2c(O)cc(CCC)cc2O)C1C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -15.859

InChIKey:
SKOYYIRDEWMQIX-UHFFFAOYSA-N

ID: 141783

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CCCC(C)C1CCC(C)(O2)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -17.517

InChIKey:
JYVSDBRBRSMYCI-UHFFFAOYSA-N

ID: 141784

SMILES:
C1=C2C(CC1(C)C)C(O)Oc1c2c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.57

InChIKey:
CHCWYYYLEPGIJK-UHFFFAOYSA-N

ID: 141785

SMILES:
c1c(CCc2cc(O)cc(OC)c2)cc(O)c2c1OC1(C)CCC3C(=C(C)C(=O)O3)C1CC(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.585

CB1 binding score: -14.79

InChIKey:
UILAWQGKCYKUCW-UHFFFAOYSA-N

ID: 141786

SMILES:
COC(C(=CC1CCC(=CCCC2(C)C(Cc3c(O)cc(C(O)CCCCC)cc3O2)O)C)C1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.676

CB1 binding score: -16.527

InChIKey:
XLQNNMRUDYQQKU-UHFFFAOYSA-N

ID: 141787

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141788

SMILES:
CC(C)CCCc1cc(OC)c(CC2C(=C)CCCC2(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: Not available

InChIKey:
XCIGFUOKMNXILG-UHFFFAOYSA-N

ID: 141789

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141790

SMILES:
C(CC=C(C)C)C(O)(C)C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -16.488

InChIKey:
LYPAWNBZJZRKQL-UHFFFAOYSA-N

ID: 141791

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C(CC=C(C)CCC=C(C)C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.777

InChIKey:
GMLZYUKHDNJDJH-UHFFFAOYSA-N

ID: 141792

SMILES:
C(C)(C)=CCCC1Cc2c(c(C(=O)O)c(CCCCC)cc2OC)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.301

InChIKey:
AUJOUOZJOSCUTN-UHFFFAOYSA-N

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141772–141792 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