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Molecule Identifiers
Molecular Properties

ID: 82027

SMILES:
C1(C(=C)C)C2c3c(c(OC)cc(CC=C(C)CO)c3)C=CC2CC(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.324

InChIKey:
LZIALAVFVMBCFV-UHFFFAOYSA-N

ID: 82028

SMILES:
C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.045

InChIKey:
YOIFJGAYWGHFPW-UHFFFAOYSA-N

ID: 82029

SMILES:
C(CC(C)=CCc1c(O)cc(CCCCCC)cc1O)C=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.393

InChIKey:
PHVGPKALUWIASL-UHFFFAOYSA-N

ID: 82030

SMILES:
C1C2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 82031

SMILES:
OCC(c1c(O)c2c(c3c1OC(O)C3)OC(C)(C)C1CC=C(C)C12)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.379

CB1 binding score: -13.539

InChIKey:
RMYYUODJRDNLHJ-UHFFFAOYSA-N

ID: 82032

SMILES:
O(C)c1c2c(cc(CO)c1)C(=O)C1(OC)C(C(C)(C)O2)CC(O)C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.411

CB1 binding score: -14.605

InChIKey:
RXYUFRYTXWGHQS-UHFFFAOYSA-N

ID: 82033

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.565

InChIKey:
SMVADMKDKAVIJM-UHFFFAOYSA-N

ID: 82034

SMILES:
C(CCC(C)=CCCC(C)=CCc1c(O)cc(CCCCCO)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.603

CB1 binding score: -16.782

InChIKey:
ZKKSUUGHFOIVDB-UHFFFAOYSA-N

ID: 82035

SMILES:
CC1=C(c2c(O)cc(CCCCC)cc2O)C2C(C)(CCC1C(=C)C)C(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.588

InChIKey:
SPPRBWWOCWZDMS-UHFFFAOYSA-N

ID: 82036

SMILES:
c1(O)c(C=O)cc2c(c1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -15.151

InChIKey:
PDPQCNLOIKUWOK-UHFFFAOYSA-N

ID: 82037

SMILES:
CC1(C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.178

InChIKey:
FRPLIPHVGOMVFW-UHFFFAOYSA-N

ID: 82038

SMILES:
C1(c2c(CCCCC)cc(C(C(C)C)=O)c(O)c2C=O)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.645

InChIKey:
BMEZZIFHTBNGHS-UHFFFAOYSA-N

ID: 82039

SMILES:
Oc1c(C(C)C(CC)=O)cc(O)c2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -14.605

InChIKey:
BGCLXLKBNNDYBC-UHFFFAOYSA-N

ID: 82040

SMILES:
C1=C(C)CCC(C(C)(C)O)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 82041

SMILES:
C(Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)Br)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 367.327

CB1 binding score: -13.991

InChIKey:
HENUXEBYUBRTQU-UHFFFAOYSA-N

ID: 82042

SMILES:
C1(C)C(=O)C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.597

InChIKey:
LQROZGZXFUAWIS-UHFFFAOYSA-N

ID: 82043

SMILES:
C1(O)C2(CCC(CCCO)C2(C)C)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.096

InChIKey:
WWMBALCYLSSTQZ-UHFFFAOYSA-N

ID: 82044

SMILES:
ClC1(C)CC(c2c(O)cc(CCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.903

CB1 binding score: -15.929

InChIKey:
SHQRQMSDUIVMAQ-UHFFFAOYSA-N

ID: 82045

SMILES:
OC1C(Oc2cc(CCC(OC)=O)cc3c2OC(C)(C)C2CCC(C)=CC32)OC(C)C(CC2C(C)(C)O2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.658

CB1 binding score: -15.812

InChIKey:
SHIUDAVXFKXCBE-UHFFFAOYSA-N

ID: 82046

SMILES:
O=C(C(c1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C(O)=O)CC1)C)OCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.459

CB1 binding score: -15.519

InChIKey:
AXAHQLOHVOYGIS-UHFFFAOYSA-N

ID: 82047

SMILES:
O(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.92

InChIKey:
HKDOXDAVEYMFPI-UHFFFAOYSA-N

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82027–82047 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