IngredientID 22115

Indole acetic acid

C10H8NO2-

Relationship Network

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

Click a node to open it in a new tab

Herb: 1Ingredient: 1Target: 12Links: 13

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22115
Core Entity Id: 27766
Source Entity Count: 1
Preferred Name: Indole acetic acid
Name En
Pubchem Id: 801
Smiles Canonical: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
Molecular Formula: C10H8NO2-
Molecular Weight: 174.1790
Inchikey: SEOVTRFCIGRIMH-UHFFFAOYSA-M
Inchi: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1
Isomeric Smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-]
Cas Id: 87-51-4
Ob Score: 46.1456
Mol Logp: 0.4603
Num H Donors: 1
Num H Acceptors: 2
Num Rotatable Bonds: 2
Drug Likeness: 0.7190
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Indole acetic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Indole acetic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Indolyl acetic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(1H-indol-3-yl)acetate

Role

alias

Source

itcmdb_public

Preferred

Name

.alpha.-Indol-3-yl-acetic acid

Role

alias

Source

TCMBank

Preferred

Name

.beta.-Indole-3-acetic acid

Role

alias

Source

TCMBank

Preferred

Name

1H-Indole-3-acetic acid

Role

alias

Source

TCMBank

Preferred

Name

1H-Indole-3-acetic acid (9CI)

Role

alias

Source

TCMBank

Preferred

Name

1H-Indole-3-acetic-a-t acid (9CI)

Role

alias

Source

TCMBank

Preferred

Name

1H-indol-3-ylacetate

Role

alias

Source

HERB_v2

Preferred

Name

1H-indol-3-ylacetic acid

Role

alias

Source

TCMBank

Preferred

Name

2-(1H-Indol-3-yl)acetic acid

Role

alias

Source

TCMBank

Preferred

Name

2-(1H-indol-3-yl)acetate

Role

alias

Source

HERB_v2

Preferred

Name

2-(1H-indol-3-yl)acetate

Role

alias

Source

itcmdb_public

Preferred

Name

2-(1H-indol-3-yl)ethanoic acid

Role

alias

Source

TCMBank

Preferred

Name

2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole

Role

alias

Source

TCMBank

Preferred

Name

2-(indol-3-yl)ethanoate

Role

alias

Source

itcmdb_public

Preferred

Name

2-(indol-3-yl)ethanoate

Role

alias

Source

HERB_v2

Preferred

Name

2-(indol-3-yl)ethanoic acid

Role

alias

Source

TCMBank

Preferred

Name

3-(Carboxymethyl)indole

Role

alias

Source

TCMBank

Preferred

Name

3-IAA

Role

alias

Source

TCMBank

Preferred

Name

3-Indoleacetic acid

Role

alias

Source

TCMBank

Preferred

Name

3-Indolylessigsaeure

Role

alias

Source

TCMBank

Preferred

Name

3-Indolylmethylcarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

3-indoleacetate

Role

alias

Source

HERB_v2

Preferred

Name

3-indoleacetate

Role

alias

Source

itcmdb_public

Preferred

Name

3-indolylaceticacid

Role

alias

Source

TCMBank

Preferred

Name

45533_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

54692-39-6

Role

alias

Source

TCMBank

Preferred

Name

6305-45-9

Role

alias

Source

TCMBank

Preferred

Name

87-51-4

Role

alias

Source

TCMBank

Preferred

Name

93672-51-6

Role

alias

Source

HERB_v2

Preferred

Name

93672-51-6

Role

alias

Source

itcmdb_public

Preferred

Name

AI3-24131

Role

alias

Source

TCMBank

Preferred

Name

AIDS009893

Role

alias

Source

TCMBank

Preferred

Name

Acetic acid, indolyl-

Role

alias

Source

TCMBank

Preferred

Name

BDBM92694

Role

alias

Source

itcmdb_public

Preferred

Name

BDBM92694

Role

alias

Source

HERB_v2

Preferred

Name

C00954

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 1014

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16411

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:30854

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:30854

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 201-748-2

Role

alias

Source

TCMBank

Preferred

Name

EPA Pesticide Chemical Code 128915

Role

alias

Source

TCMBank

Preferred

Name

EU-0099905

Role

alias

Source

TCMBank

Preferred

Name

Heteroauxinhexteroauxiniaa

Role

alias

Source

TCMBank

Preferred

Name

Hexteroauxin

Role

alias

Source

TCMBank

Preferred

Name

I2886_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

I3750_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

I8262_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

IAA

Role

alias

Source

TCMBank

Preferred

Name

IAC

Role

alias

Source

TCMBank

Preferred

Name

IES

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13

Role

alias

Source

TCMBank

Preferred

Name

Indol-3-ylacetic acid

Role

alias

Source

TCMBank

Preferred

Name

Indole acetic acid

Role

alias

Source

TCMBank

Preferred

Name

Indole-3-acetic acid (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Indole-3-acetic acid, 16

Role

alias

Source

itcmdb_public

Preferred

Name

Indole-3-acetic acid, 16

Role

alias

Source

HERB_v2

Preferred

Name

Indole-3-acetic acid-carboxy-14C

Role

alias

Source

TCMBank

Preferred

Name

Indole-3-acetic-t acid

Role

alias

Source

TCMBank

Preferred

Name

Indoleacetic acid (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Indolyl-3-acetic acid

Role

alias

Source

TCMBank

Preferred

Name

Kyselina 3-indolyloctova [Czech]

Role

alias

Source

TCMBank

Preferred

Name

MLS001066408

Role

alias

Source

TCMBank

Preferred

Name

Maybridge1_006755

Role

alias

Source

TCMBank

Preferred

Name

NSC 3787

Role

alias

Source

TCMBank

Preferred

Name

Oprea1_602123

Role

alias

Source

TCMBank

Preferred

Name

Rhizopin

Role

alias

Source

TCMBank

Preferred

Name

Rhizopon A

Role

alias

Source

TCMBank

Preferred

Name

SDCCGMLS-0066204.P001

Role

alias

Source

TCMBank

Preferred

Name

SMR000471855

Role

alias

Source

TCMBank

Preferred

Name

SR-01000596909-2

Role

alias

Source

TCMBank

Preferred

Name

ST5308201

Role

alias

Source

TCMBank

Preferred

Name

WLN: T56 BMJ D1VQ

Role

alias

Source

TCMBank

Preferred

Name

[3H]-IAA

Role

alias

Source

TCMBank

Preferred

Name

alpha-IAA

Role

alias

Source

TCMBank

Preferred

Name

beta-IAA

Role

alias

Source

TCMBank

Preferred

Name

beta-Indoleacetic acid

Role

alias

Source

TCMBank

Preferred

Name

beta-Indolylacetic acid

Role

alias

Source

TCMBank

Preferred

Name

heteroauxin

Role

alias

Source

TCMBank

Preferred

Name

indole-3-acetate

Role

alias

Source

HERB_v2

Preferred

Name

indole-3-acetate

Role

alias

Source

itcmdb_public

Preferred

Name

indole-3-acetic acid

Role

alias

Source

TCMBank

Preferred

Name

omega-Skatole carboxylic acid

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Indolyl acetic acid(1H-indol-3-yl)acetate.alpha.-Indol-3-yl-acetic acid.beta.-Indole-3-acetic acid1H-Indole-3-acetic acid1H-Indole-3-acetic acid (9CI)1H-Indole-3-acetic-a-t acid (9CI)1H-indol-3-ylacetate1H-indol-3-ylacetic acid2-(1H-Indol-3-yl)acetic acid2-(1H-indol-3-yl)acetate2-(1H-indol-3-yl)ethanoic acid2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole2-(indol-3-yl)ethanoate2-(indol-3-yl)ethanoic acid3-(Carboxymethyl)indole3-IAA3-Indoleacetic acid3-Indolylessigsaeure3-Indolylmethylcarboxylic acid3-indoleacetate3-indolylaceticacid45533_RIEDEL54692-39-66305-45-987-51-493672-51-6AI3-24131AIDS009893Acetic acid, indolyl-BDBM92694C00954CCRIS 1014CHEBI:16411CHEBI:30854EINECS 201-748-2EPA Pesticide Chemical Code 128915EU-0099905HeteroauxinhexteroauxiniaaHexteroauxinI2886_SIGMAI3750_ALDRICHI8262_SIGMAIAAIACIESInChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13Indol-3-ylacetic acidIndole-3-acetic acid (8CI)Indole-3-acetic acid, 16Indole-3-acetic acid-carboxy-14CIndole-3-acetic-t acidIndoleacetic acid (VAN)Indolyl-3-acetic acidKyselina 3-indolyloctova [Czech]MLS001066408Maybridge1_006755NSC 3787Oprea1_602123RhizopinRhizopon ASDCCGMLS-0066204.P001SMR000471855SR-01000596909-2ST5308201WLN: T56 BMJ D1VQ[3H]-IAAalpha-IAAbeta-IAAbeta-Indoleacetic acidbeta-Indolylacetic acidheteroauxinindole-3-acetateindole-3-acetic acidomega-Skatole carboxylic acid

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN008757HBIN029208HBIN030122HBIN030126

Npass

NPC111263

Tcmid

33635

Pub Chem

801

Tcmbank

TCMBANKIN058374

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1

Mol Wt

174.1789999999999

Smiles

C1=CC=C2C(=C1)C(=CN2)CC(=O)O

Mol Log P

0.4602999999999995

In Ch Ikey

SEOVTRFCIGRIMH-UHFFFAOYSA-M

Ob Score

46.145568

Num Hdonors

Drug Likeness

0.719

Num Hacceptors

Isomeric Smiles

C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-]

Canonical Smiles

C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-]

Herb Alias Names

indole-3-acetate2-(1H-indol-3-yl)acetate3-indoleacetate1H-indol-3-ylacetate93672-51-6(1H-indol-3-yl)acetate2-(indol-3-yl)ethanoateIndole-3-acetic acid, 16BDBM92694CHEBI:30854

Molecular Weight

175.18 g/mol

Molecular Formula

C10H9NO2

Molecular Formula

C10H8NO2-

Num Rotatable Bonds