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Molecule Identifiers
Molecular Properties

ID: 129823

SMILES:
C(c1c2cc(C)cc1OC(C)(CCC=C(C)C)C=C2)CCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.659

CB1 binding score: -12.131

InChIKey:
UGORAIGKHBRQKO-UHFFFAOYSA-N

ID: 129824

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1CCc1ccc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 129825

SMILES:
CC1C2(C(C(=C)C)CC1)Oc1c(c(O)cc(CCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.498

InChIKey:
FUVKNSITGWNZHE-UHFFFAOYSA-N

ID: 129826

SMILES:
C1(C)(C)C2C(c3c(cc(C)cc3O)O1)CC(C)=CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -16.853

InChIKey:
XBHAYMZVVIBAMR-UHFFFAOYSA-N

ID: 129827

SMILES:
C1C(C(C)C)C(c2c(O)ccc(CCCCC)c2)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.833

InChIKey:
AHAMTJVSLQYAMH-UHFFFAOYSA-N

ID: 129828

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)C(O)CC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.697

InChIKey:
RDLUNEDCJHKYDQ-UHFFFAOYSA-N

ID: 129829

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CC=C(C)C)C(C(O)(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.252

InChIKey:
BVWBVLNEZJLPPS-UHFFFAOYSA-N

ID: 129830

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1c2c(CCCC(C)C)c(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.306

InChIKey:
HDMRFJMEKPDUKN-UHFFFAOYSA-N

ID: 129831

SMILES:
C1(C)(C)C2C(c3c(O)cc(CCCCCC)cc3OC2=O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: Not available

InChIKey:
DNLWWUVNGXVUAK-UHFFFAOYSA-N

ID: 129832

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C(O)C=C(CO)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.867

InChIKey:
MSNVCGABTDSWFB-UHFFFAOYSA-N

ID: 129833

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C(C)C)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.812

InChIKey:
JTHHZPIOAQJTND-UHFFFAOYSA-N

ID: 129834

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 129835

SMILES:
c1(OC)c(C2C=C(C)CCC2C(C)C)c(OC)cc(CCCCCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -13.522

InChIKey:
LQOLEAOMASUZBW-UHFFFAOYSA-N

ID: 129836

SMILES:
C(C(=C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O)C)(C(C=C(C)C)O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -14.79

InChIKey:
HNQXBLVZATYZSG-UHFFFAOYSA-N

ID: 129837

SMILES:
C1(C(=C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.3

InChIKey:
ITMOOMDOCAUJPN-UHFFFAOYSA-N

ID: 129838

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 129839

SMILES:
C(C)(C)C1CC2C(C)(Oc3cc(CCCCC)cc(O)c31)CCCC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.593

CB1 binding score: -14.724

InChIKey:
SQGFUILJWIKKIO-UHFFFAOYSA-N

ID: 129840

SMILES:
C(C(CC(=O)OC)c1c2c(c(C)cc1O)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.021

InChIKey:
YTTQYLISFHRUEU-UHFFFAOYSA-N

ID: 129841

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C(C)=CCC2C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.027

InChIKey:
HKBWJLZMQMOLNL-UHFFFAOYSA-N

ID: 129842

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.162

InChIKey:
PSJHECMYRKFEQA-UHFFFAOYSA-N

ID: 129843

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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129823–129843 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