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Molecule Identifiers
Molecular Properties

ID: 130768

SMILES:
C(CC=C(C)C)C(O)(C1Oc2c1c(O)cc(CCC)c2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.367

InChIKey:
HLLCNGXALGRBKE-UHFFFAOYSA-N

ID: 130769

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1cc(O)c(C)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.225

InChIKey:
XUERFRQVGLONMR-UHFFFAOYSA-N

ID: 130770

SMILES:
CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 130771

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(C)c(CCC=CCCCCCCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.751

CB1 binding score: -16.249

InChIKey:
ZFSRFABSPOYMAV-UHFFFAOYSA-N

ID: 130772

SMILES:
C1(C)(C)C2CC(O)C(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.829

InChIKey:
JXXVDKGGZIPBOC-UHFFFAOYSA-N

ID: 130773

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC1(C2)C2(C(c3ccccc3)=O)C(CC2)C(CCC=C(C)C)(C)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.761

CB1 binding score: -16.502

InChIKey:
QKEQBPDCRVILQQ-UHFFFAOYSA-N

ID: 130774

SMILES:
C(CCC(C)C)c1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(=O)OC1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: Not available

InChIKey:
ZXWWJKXWDVEEQU-UHFFFAOYSA-N

ID: 130775

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2C(OC)C1C(=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.069

InChIKey:
USAVVSSTZOBAHY-UHFFFAOYSA-N

ID: 130776

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.879

InChIKey:
UPYBCDJLWZBPBZ-UHFFFAOYSA-N

ID: 130777

SMILES:
C1(=C)C2CCC(C(O)=O)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.502

InChIKey:
NCLYKLQYYHOAPL-UHFFFAOYSA-N

ID: 130778

SMILES:
C1(C)=CC23C(=O)C(C4C(C)(C)C4CC2C)Cc2c(O)cc(CCCCC)cc2OC1(C)OC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -14.47

InChIKey:
GOVXYKPNFBAXOZ-UHFFFAOYSA-N

ID: 130779

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 130780

SMILES:
Oc1c(-c2c(OC)cc(CCCCC)cc2OC)cc(CC=C(C)CCC=C(C)CCC=C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.755

CB1 binding score: -11.262

InChIKey:
NKJNARRISUGYKE-UHFFFAOYSA-N

ID: 130781

SMILES:
C(CCCC(C)=CCc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -14.576

InChIKey:
GSFUTEMUHPUSNS-UHFFFAOYSA-N

ID: 130782

SMILES:
C1(=O)c2c(c(O)cc(CCCCC)c2)C2C(C=CC(C)(C)O1)C(C)CC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -17.253

InChIKey:
DSBVZWOPMFCISV-UHFFFAOYSA-N

ID: 130783

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.524

InChIKey:
MKOPFXMKETZRAP-UHFFFAOYSA-N

ID: 130784

SMILES:
C(Cc1cc(O)c(CCC2=C(C)CCC(CO)C2(C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.588

InChIKey:
KMACFFYALFLOAA-UHFFFAOYSA-N

ID: 130785

SMILES:
C(CCC)Cc1cc(O)c(CC2C(C=C)(C)CCCC2(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.387

InChIKey:
HMDIYNVYFQOBHF-UHFFFAOYSA-N

ID: 130786

SMILES:
C1C(C)COc2cc(CCCCC)cc(OC)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.568

InChIKey:
ZILKOWHJHOLVLP-UHFFFAOYSA-N

ID: 130787

SMILES:
CCc1cc(O)c(C2C(O)C(C(C)CCC=C(C)C)=CC2)c(O)c1C(CCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.174

InChIKey:
UUKKXRNLPNMZJA-UHFFFAOYSA-N

ID: 130788

SMILES:
C=Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -15.866

InChIKey:
BZMPLWNJIXSGDZ-UHFFFAOYSA-N

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130768–130788 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