IngredientID 9384

Acenaphthylene

C12H8

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 6Ingredient: 1Target: 5Links: 11

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 9384
Core Entity Id: 13597
Source Entity Count: 1
Preferred Name: Acenaphthylene
Name En
Pubchem Id: 9161
Smiles Canonical: C1=CC2=C3C(=C1)C=CC3=CC=C2
Molecular Formula: C12H8
Molecular Weight: 152.1960
Inchikey: HXGDTGSAIMULJN-UHFFFAOYSA-N
Inchi: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
Isomeric Smiles: C1=CC2=C3C(=C1)C=CC3=CC=C2
Cas Id: 208-96-8
Ob Score: 28.5522
Mol Logp: 3.3236
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 0
Drug Likeness: 0.4630
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Acenaphthylene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Acenaphthylene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Acenaphthylene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Acenaphthylene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

acenaphthylene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

1Z25C36811

Role

alias

Source

HERB_v2

Preferred

Name

1Z25C36811

Role

alias

Source

itcmdb_public

Preferred

Name

1Z25C36811

Role

alias

Source

TCMBank

Preferred

Name

208-96-8

Role

alias

Source

itcmdb_public

Preferred

Name

208-96-8

Role

alias

Source

HERB_v2

Preferred

Name

208-96-8

Role

alias

Source

TCMBank

Preferred

Name

34493-60-2

Role

alias

Source

TCMBank

Preferred

Name

36958_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

40075_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

416703_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

48566_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

48630U_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

A0005

Role

alias

Source

TCMBank

Preferred

Name

A805_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

A815009

Role

alias

Source

TCMBank

Preferred

Name

AC-26296

Role

alias

Source

TCMBank

Preferred

Name

AC1L1SGG

Role

alias

Source

TCMBank

Preferred

Name

ACM208968

Role

alias

Source

TCMBank

Preferred

Name

ACMC-209ffp

Role

alias

Source

TCMBank

Preferred

Name

ACN-028453

Role

alias

Source

TCMBank

Preferred

Name

ACN-S002726

Role

alias

Source

TCMBank

Preferred

Name

AJ-30001

Role

alias

Source

TCMBank

Preferred

Name

AK-76931

Role

alias

Source

TCMBank

Preferred

Name

AKOS015901063

Role

alias

Source

TCMBank

Preferred

Name

AKOS025243282

Role

alias

Source

TCMBank

Preferred

Name

AM20030321

Role

alias

Source

TCMBank

Preferred

Name

AN-16755

Role

alias

Source

TCMBank

Preferred

Name

ANW-24275

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthalene

Role

alias

Source

itcmdb_public

Preferred

Name

Acenaphthalene

Role

alias

Source

HERB_v2

Preferred

Name

Acenaphthalene

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene 10 microg/mL in Acetonitrile

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene 10 microg/mL in Cyclohexane

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene 100 microg/mL in Acetonitrile

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene solution

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene solution, 200 mug/mL in methanol, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, 75%

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, 98% 100mg

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, 99%

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, certified reference material, TraceCERT(R)

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene, radical ion(1-)

Role

alias

Source

TCMBank

Preferred

Name

Acenaphthylene,industrial

Role

alias

Source

TCMBank

Preferred

Name

C-03077

Role

alias

Source

TCMBank

Preferred

Name

CAS-208-96-8

Role

alias

Source

TCMBank

Preferred

Name

CC-23640

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:33081

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:33081

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:33081

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL2132328

Role

alias

Source

TCMBank

Preferred

Name

CJ-28033

Role

alias

Source

TCMBank

Preferred

Name

CTK1A1968

Role

alias

Source

TCMBank

Preferred

Name

Cyclopenta(de)naphthalene

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclopenta[de]naphthalene

Role

alias

Source

TCMBank

Preferred

Name

Cyclopenta[de]naphthalene

Role

alias

Source

HERB_v2

Preferred

Name

Cycopenta(de)naphthalene

Role

alias

Source

TCMBank

Preferred

Name

DS-16915

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_3845

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_23845

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_77204

Role

alias

Source

TCMBank

Preferred

Name

DTXSID3023845

Role

alias

Source

TCMBank

Preferred

Name

DTXSID3023845

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID3023845

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 205-917-1

Role

alias

Source

TCMBank

Preferred

Name

FCH1117907

Role

alias

Source

TCMBank

Preferred

Name

FT-0600515

Role

alias

Source

TCMBank

Preferred

Name

FT-0660958

Role

alias

Source

TCMBank

Preferred

Name

G00031-Watson-Int

Role

alias

Source

TCMBank

Preferred

Name

HSDB 2661

Role

alias

Source

TCMBank

Preferred

Name

HXGDTGSAIMULJN-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

I14-1580

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8

Role

alias

Source

TCMBank

Preferred

Name

KB-250606

Role

alias

Source

TCMBank

Preferred

Name

KS-00000FKU

Role

alias

Source

TCMBank

Preferred

Name

LS-7874

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4571389115

Role

alias

Source

TCMBank

Preferred

Name

MFCD00003806

Role

alias

Source

TCMBank

Preferred

Name

MFCD00003806

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00003806

Role

alias

Source

itcmdb_public

Preferred

Name

MolPort-003-925-028

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163967-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163967-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163967-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00254399-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00259374-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 59821

Role

alias

Source

TCMBank

Preferred

Name

NSC-59821

Role

alias

Source

itcmdb_public

Preferred

Name

NSC-59821

Role

alias

Source

HERB_v2

Preferred

Name

Q-200575

Role

alias

Source

TCMBank

Preferred

Name

RTR-009826

Role

alias

Source

TCMBank

Preferred

Name

SBB061406

Role

alias

Source

TCMBank

Preferred

Name

SC-18791

Role

alias

Source

TCMBank

Preferred

Name

ST24030065

Role

alias

Source

TCMBank

Preferred

Name

ST51047425

Role

alias

Source

TCMBank

Preferred

Name

TR-009826

Role

alias

Source

TCMBank

Preferred

Name

TRA0083522

Role

alias

Source

TCMBank

Preferred

Name

Tox21_201825

Role

alias

Source

TCMBank

Preferred

Name

Tox21_300587

Role

alias

Source

TCMBank

Preferred

Name

UNII-1Z25C36811

Role

alias

Source

TCMBank

Preferred

Name

X8427

Role

alias

Source

TCMBank

Preferred

Name

ZINC1689804

Role

alias

Source

TCMBank

Preferred

Name

acenaphthylen

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

1Z25C36811208-96-834493-60-236958_RIEDEL40075_SUPELCO416703_ALDRICH48566_SUPELCO48630U_SUPELCOA0005A805_ALDRICHA815009AC-26296AC1L1SGGACM208968ACMC-209ffpACN-028453ACN-S002726AJ-30001AK-76931AKOS015901063AKOS025243282AM20030321AN-16755ANW-24275AcenaphthaleneAcenaphthylene 10 microg/mL in AcetonitrileAcenaphthylene 10 microg/mL in CyclohexaneAcenaphthylene 100 microg/mL in AcetonitrileAcenaphthylene solutionAcenaphthylene solution, 200 mug/mL in methanol, analytical standardAcenaphthylene, 75%Acenaphthylene, 98% 100mgAcenaphthylene, 99%Acenaphthylene, analytical standardAcenaphthylene, certified reference material, TraceCERT(R)Acenaphthylene, radical ion(1-)Acenaphthylene,industrialC-03077CAS-208-96-8CC-23640CHEBI:33081CHEMBL2132328CJ-28033CTK1A1968Cyclopenta(de)naphthaleneCyclopenta[de]naphthaleneCycopenta(de)naphthaleneDS-16915DSSTox_CID_3845DSSTox_GSID_23845DSSTox_RID_77204DTXSID3023845EINECS 205-917-1FCH1117907FT-0600515FT-0660958G00031-Watson-IntHSDB 2661HXGDTGSAIMULJN-UHFFFAOYSA-NI14-1580InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8KB-250606KS-00000FKULS-7874MCULE-4571389115MFCD00003806MolPort-003-925-028NCGC00163967-01NCGC00163967-02NCGC00163967-03NCGC00254399-01NCGC00259374-01NSC 59821NSC-59821Q-200575RTR-009826SBB061406SC-18791ST24030065ST51047425TR-009826TRA0083522Tox21_201825Tox21_300587UNII-1Z25C36811X8427ZINC1689804acenaphthylen

Cross References

Trusted external identifiers retained for this final record.

Cas

208-96-8

Herb

HBIN014367

Npass

NPC251490

Tcmid

23667

Tcmsp

MOL005539

Sym Map

SMIT01851SMIT07284

Tcm Id

7243

Pub Chem

9161

Tcmbank

TCMBANKIN016962

Etcm Ingredient

Acenaphthylene

Itcmdb Generated

ITX-INGREDIENT-E9C568D64057

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

Mol Wt

152.196

Cas Id

208-96-8

Smiles

C1=CC2=C3C(=C1)C=CC3=CC=C2

Mol Log P

3.323600000000002

Version

v1,v2

In Ch Ikey

HXGDTGSAIMULJN-UHFFFAOYSA-N

Ob Score

28.55222781

Suppress

Num Hdonors

Drug Likeness

0.463

Num Hacceptors

Isomeric Smiles

C1=CC2=C3C(=C1)C=CC3=CC=C2

Molecule Weight

152.195|152.2

Canonical Smiles

C1=CC2=C3C(=C1)C=CC3=CC=C2

Herb Alias Names

208-96-8AcenaphthaleneCyclopenta[de]naphthaleneCyclopenta(de)naphthaleneDTXSID3023845CHEBI:33081MFCD00003806NSC-598211Z25C36811

Molecular Weight

152.060

Molecular Weight

152.19

Molecule Formula

C12H8

Molecular Formula

C12H8

Molecular Formula

C12H8

Molecular Formula

C12H8

Num Rotatable Bonds

Link Ingredient Id

1851.0

Fda Maximum Daily Dose (Fdamdd)

0.206

Quantitative Estimate Of Drug Likeness（Qed）

0.463