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Molecule Identifiers
Molecular Properties

ID: 103804

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 103805

SMILES:
C1=C(C)C(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 103806

SMILES:
O(c1cc(COC(C(O)CCCCCCCC=CCCCCCC)=O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 582.822

CB1 binding score: -12.258

InChIKey:
WHVNUUXBUICXGY-UHFFFAOYSA-N

ID: 103807

SMILES:
C(Cc1c(O)cc(O)c(C=O)c1C1C(C(C)=C)CCC(C)=C1)CCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.695

CB1 binding score: -16.317

InChIKey:
GCVLYXSDONBNKG-UHFFFAOYSA-N

ID: 103808

SMILES:
C1C2(C)Oc3c(c(OC)cc(CCC)c3)C2C=C(C)C1Cc1ccccc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -15.327

InChIKey:
NTUUSRGYSWXKRY-UHFFFAOYSA-N

ID: 103809

SMILES:
c1(O)c2c(cc(CCCC)c1O)OC(C)(C)C1CCC3(C)OC1C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.617

InChIKey:
MMIYXINAOKMUJE-UHFFFAOYSA-N

ID: 103810

SMILES:
c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.957

InChIKey:
XFYKOYWZVVGAEV-UHFFFAOYSA-N

ID: 103811

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)=CCC3C2(C)CCCC3(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.545

InChIKey:
PQSZNPIBSWDQEV-UHFFFAOYSA-N

ID: 103812

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(C)cc(CCc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.75

CB1 binding score: -16.652

InChIKey:
YQLNFISJDKRMLG-UHFFFAOYSA-N

ID: 103813

SMILES:
C(CCC1(C)C=Cc2c(O)cc(CCCCC)cc2O1)C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.933

InChIKey:
RHMCBMLIHXFOMQ-UHFFFAOYSA-N

ID: 103814

SMILES:
c1(CC(=C(C)C)C)cc(C2C=C(C)CCC2C(C)=C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -18.321

InChIKey:
WYCVILAXQKWXQW-UHFFFAOYSA-N

ID: 103815

SMILES:
C12C(CO)=CC3c4c(O)cc(CCCCC)cc4OC(O)(C1CCC2C)C(=O)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -15.171

InChIKey:
HEFDESOPNPUOTK-UHFFFAOYSA-N

ID: 103816

SMILES:
C1(C)(C)C2CC(O)C(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.944

InChIKey:
BNHIPIUQMWYYNY-UHFFFAOYSA-N

ID: 103817

SMILES:
C(C)(=CCCC(=CCc1cc(O)c(CC=C(C)C)cc1O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.051

InChIKey:
TXLIVWXFPYVBTA-UHFFFAOYSA-N

ID: 103818

SMILES:
C1(C)(C)C2CCC(O)(C)CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 103819

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)C(=O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 103820

SMILES:
C1SSCC2c3c(O)cc(CCCCC)cc3OC(C)(C)C3CCC(C(CO)CC1)C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.737

CB1 binding score: -14.047

InChIKey:
IRXRXSWSDICVCO-UHFFFAOYSA-N

ID: 103821

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC=C(C)CCC2C(C)(C)CC2C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.024

InChIKey:
ZWANBQINEPRJLO-UHFFFAOYSA-N

ID: 103822

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(O)C1(C)C1C(C2=O)CC=C1CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -14.299

InChIKey:
VHMMGIFRLYPOFE-UHFFFAOYSA-N

ID: 103823

SMILES:
c1(CCCCO)c(C)cc2c(c1C)OC(C)(C)CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.98

InChIKey:
MVVOJGFBPZVZRA-UHFFFAOYSA-N

ID: 103824

SMILES:
CC12CCC(CO)=CC1c1c(ccc(CCCC)c1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.948

InChIKey:
HJGYEXWHNMXCCT-UHFFFAOYSA-N

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103804–103824 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