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Molecule Identifiers
Molecular Properties

ID: 139840

SMILES:
C(CC)c1cc(O)c2c(c1)OC(C)(C)C1C(C(O)(C)CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.438

InChIKey:
GLYBIYZKDBVGDK-UHFFFAOYSA-N

ID: 139841

SMILES:
C1C(C(=C)C)C(c2c(CC=C(C)C)c(O)cc(CCC(C)(CC)O)c2O)C(=O)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.52

InChIKey:
FHRGAHYYIADGOZ-UHFFFAOYSA-N

ID: 139842

SMILES:
CC(=CCCC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.888

InChIKey:
SETFZBWAUNOHKP-UHFFFAOYSA-N

ID: 139843

SMILES:
c1c(O)c(C2C(C(=C)C)CCC3(C)C2CCC3C)c(O)cc1CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.378

InChIKey:
LSTNWZWEPHQZLA-UHFFFAOYSA-N

ID: 139844

SMILES:
C12C(C)CCC3C1(Oc1ccc(O)c(CCCCC)c1)C(=O)C(C=C(C)C)=C2OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -10.341

InChIKey:
VKQXFAKBMXSSBS-UHFFFAOYSA-N

ID: 139845

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)C3C1C2C(C)CC31CCCC1CCOC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -13.433

InChIKey:
ZNKJRBXAKRLWOR-UHFFFAOYSA-N

ID: 139846

SMILES:
O1C2(C)C(O)CC(C(C)C)(Oc3cc(CCCCC)cc(O)c31)CCC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -11.814

InChIKey:
NUAXRDOOAAJCHL-UHFFFAOYSA-N

ID: 139847

SMILES:
c1(O)c2c(c(O)cc1CCCCC)OC(C)(CCC=C(CCC=C(C)C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -19.761

InChIKey:
YFHSUGXCKGOGEF-UHFFFAOYSA-N

ID: 139848

SMILES:
c1(CCCC)ccc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.823

InChIKey:
MJPGPIDFMYMEIN-UHFFFAOYSA-N

ID: 139849

SMILES:
c1(O)cc(CCC(O)=O)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 318.413

CB1 binding score: -18.016

InChIKey:
OVJKPQKAIHSVBC-UHFFFAOYSA-N

ID: 139850

SMILES:
C12C(C)CCC1C1(CCC(C)(O)C1C)c1c(O)cc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.34

InChIKey:
LSDSPSGXAXQUDM-UHFFFAOYSA-N

ID: 139851

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1CCC(=CC(C=C(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.67

InChIKey:
YWTXOWXDGBZKDK-UHFFFAOYSA-N

ID: 139852

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.438

CB1 binding score: -16.502

InChIKey:
QWCMGHBKJWEFFY-UHFFFAOYSA-N

ID: 139853

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 139854

SMILES:
C12=C3C(C)(C)CC1(C)CCC2C(O)c1c(O)cc(CCCCC)cc1O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.454

InChIKey:
XWMYATXIUHDDNE-UHFFFAOYSA-N

ID: 139855

SMILES:
CC1=CCC2C(C)(C)Oc3c(C(CC=C)C)c(O)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.492

InChIKey:
WSMVYLPCNSISGH-UHFFFAOYSA-N

ID: 139856

SMILES:
c1(CC(CC)C)c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.929

InChIKey:
OWJUUXZBXACHHT-UHFFFAOYSA-N

ID: 139857

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 139858

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1C(=O)C1(O)C(CCC1(C)O)C(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -15.479

InChIKey:
UOIHLECVZKTJIM-UHFFFAOYSA-N

ID: 139859

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 139860

SMILES:
C(Cc1cc(O)c2c(c1)OC(CO)C(C)(C)O2)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 266.337

CB1 binding score: -13.873

InChIKey:
HHIDCWQSZLBKQW-UHFFFAOYSA-N

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139840–139860 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