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Molecule Identifiers
Molecular Properties

ID: 128626

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 128627

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)CC=C1C)C(O)(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.897

InChIKey:
YHAXKTORBIFIQN-UHFFFAOYSA-N

ID: 128628

SMILES:
C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.792

InChIKey:
SJZVNVPYZDSYFZ-UHFFFAOYSA-N

ID: 128629

SMILES:
O=S(Oc1cc2c(cc1)OC(C)(C)C1CC(=O)C(C)=CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.41

CB1 binding score: -15.104

InChIKey:
USSCDSPEZSRNFP-UHFFFAOYSA-N

ID: 128630

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

ID: 128631

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128632

SMILES:
C1(C)=CC2Oc3c(O)cc(CCCCC)cc3OC1(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.378

InChIKey:
VVWYNAYXKZGMKG-UHFFFAOYSA-N

ID: 128633

SMILES:
c1c(CCCCC)cc(O)c2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 128634

SMILES:
OC(C)(C)C(O)COc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -14.215

InChIKey:
OSLXWMXFENSFEE-UHFFFAOYSA-N

ID: 128635

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)OC1OC)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.375

InChIKey:
UHMXHVXWBQVIRP-UHFFFAOYSA-N

ID: 128636

SMILES:
CC1CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 128637

SMILES:
c12c(c(C(=O)C(C)OCC)c(O)cc1OC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.51

InChIKey:
IPLDSKJKXSOHSH-UHFFFAOYSA-N

ID: 128638

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 128639

SMILES:
C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 128640

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(=C)C)C(c3ccoc3)OC2=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -13.131

InChIKey:
GNROLMPIJIDFLZ-UHFFFAOYSA-N

ID: 128641

SMILES:
C(CO)(C1Cc2c(cc(CCCCC)cc2O)OC(C)(C)C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -13.984

InChIKey:
RGOYCSDXKGLRNI-UHFFFAOYSA-N

ID: 128642

SMILES:
CC1=CC(c2c(O)cc(C)cc2O)C2C(CCC1(O)C)C(C)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -12.352

InChIKey:
SANYWZAYVZPQFI-UHFFFAOYSA-N

ID: 128643

SMILES:
O1c2c(C)cc(O)cc2C2CC(C1(C)C)C(C(C)CC)C=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.086

InChIKey:
LFJDASZIUPZCIN-UHFFFAOYSA-N

ID: 128644

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 128645

SMILES:
c12c(cc(CCCCC)cc1O)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: 128646

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.359

InChIKey:
DMCSCRLNUNKWLQ-UHFFFAOYSA-N

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128626–128646 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