IngredientID 25431

M-coumaric acid

C9H8O3

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Herb: 6Ingredient: 1Target: 12Links: 18

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 25431
Core Entity Id: 31460
Source Entity Count: 1
Preferred Name: M-coumaric acid
Name En
Pubchem Id: 637541
Smiles Canonical: C1=CC(=CC(=C1)O)C=CC(=O)O
Molecular Formula: C9H8O3
Molecular Weight: 164.1600
Inchikey: KKSDGJDHHZEWEP-SNAWJCMRSA-N
Inchi: InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
Isomeric Smiles: C1=CC(=CC(=C1)O)/C=C/C(=O)O
Cas Id: 588-30-7
Ob Score: 49.5380
Mol Logp: 1.4900
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 2
Drug Likeness: 0.6510
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

M-COUMARIC ACID

Role

preferred

Source

TCMBank

Preferred

Yes

Name

M-Coumaric Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

M-coumaric acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

M-coumaric acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(2E)-3-(3-hydroxyphenyl)acrylic acid

Role

alias

Source

TCMBank

Preferred

Name

(E)-3-(3-Hydroxyphenyl)-2-propenoic acid

Role

alias

Source

TCMBank

Preferred

Name

(E)-3-(3-Hydroxyphenyl)acrylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(E)-3-(3-Hydroxyphenyl)acrylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(E)-3-(3-hydroxyphenyl)acrylic acid

Role

alias

Source

TCMBank

Preferred

Name

(E)-3-(3-hydroxyphenyl)prop-2-enoic acid

Role

alias

Source

TCMBank

Preferred

Name

14755-02-3

Role

alias

Source

HERB_v2

Preferred

Name

14755-02-3

Role

alias

Source

itcmdb_public

Preferred

Name

2-Propenoic acid, 3-(3-hydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-

Role

alias

Source

TCMBank

Preferred

Name

2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-

Role

alias

Source

TCMBank

Preferred

Name

28180_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

3-(3-Hydroxyphenyl)acrylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-(3-Hydroxyphenyl)acrylic acid

Role

alias

Source

HERB_v2

Preferred

Name

3-(3-hydroxyphenyl)acrylic acid

Role

alias

Source

TCMBank

Preferred

Name

3-(3-hydroxyphenyl)prop-2-enoic acid

Role

alias

Source

TCMBank

Preferred

Name

3-Coumaric acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-Coumaric acid

Role

alias

Source

HERB_v2

Preferred

Name

3-Coumaric acid

Role

alias

Source

TCMBank

Preferred

Name

3-Hydroxycinnamic acid

Role

alias

Source

HERB_v2

Preferred

Name

3-Hydroxycinnamic acid

Role

alias

Source

TCMBank

Preferred

Name

3-Hydroxycinnamic acid

Role

alias

Source

itcmdb_public

Preferred

Name

588-30-7

Role

alias

Source

HERB_v2

Preferred

Name

588-30-7

Role

alias

Source

TCMBank

Preferred

Name

588-30-7

Role

alias

Source

itcmdb_public

Preferred

Name

AI3-32389

Role

alias

Source

TCMBank

Preferred

Name

C12621

Role

alias

Source

TCMBank

Preferred

Name

CINNAMIC ACID,3-HYDROXY (TRANS)

Role

alias

Source

TCMBank

Preferred

Name

Cinnamic acid, m-hydroxy-

Role

alias

Source

TCMBank

Preferred

Name

EINECS 209-615-0

Role

alias

Source

TCMBank

Preferred

Name

H23007_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4

Role

alias

Source

TCMBank

Preferred

Name

NSC 28956

Role

alias

Source

TCMBank

Preferred

Name

NSC50308

Role

alias

Source

TCMBank

Preferred

Name

m-Hydroxycinnamic acid

Role

alias

Source

HERB_v2

Preferred

Name

m-Hydroxycinnamic acid

Role

alias

Source

TCMBank

Preferred

Name

m-Hydroxycinnamic acid

Role

alias

Source

itcmdb_public

Preferred

Name

m-coumaricacid

Role

alias

Source

TCMBank

Preferred

Name

trans-3-Hydroxycinnamate

Role

alias

Source

TCMBank

Preferred

Name

trans-3-Hydroxycinnamic acid

Role

alias

Source

HERB_v2

Preferred

Name

trans-3-Hydroxycinnamic acid

Role

alias

Source

TCMBank

Preferred

Name

trans-3-Hydroxycinnamic acid

Role

alias

Source

itcmdb_public

Preferred

Name

trans-m-Coumaric Acid

Role

alias

Source

HERB_v2

Preferred

Name

trans-m-Coumaric Acid

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

(2E)-3-(3-hydroxyphenyl)acrylic acid(E)-3-(3-Hydroxyphenyl)-2-propenoic acid(E)-3-(3-Hydroxyphenyl)acrylic acid(E)-3-(3-hydroxyphenyl)prop-2-enoic acid14755-02-32-Propenoic acid, 3-(3-hydroxyphenyl)-2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI)2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-28180_FLUKA3-(3-Hydroxyphenyl)acrylic acid3-(3-hydroxyphenyl)prop-2-enoic acid3-Coumaric acid3-Hydroxycinnamic acid588-30-7AI3-32389C12621CINNAMIC ACID,3-HYDROXY (TRANS)Cinnamic acid, m-hydroxy-EINECS 209-615-0H23007_ALDRICHInChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4NSC 28956NSC50308m-Hydroxycinnamic acidm-coumaricacidtrans-3-Hydroxycinnamatetrans-3-Hydroxycinnamic acidtrans-m-Coumaric Acid

Cross References

Trusted external identifiers retained for this final record.

Cas

588-30-7

Herb

HBIN034595

Npass

NPC257182

Tcmid

308174133

Tcmsp

MOL004549

Sym Map

SMIT06450

Pub Chem

637541

Tcmbank

TCMBANKIN031702

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+

Mol Wt

164.16

Cas Id

588-30-7

Smiles

C1=CC(=CC(=C1)O)C=CC(=O)O

Mol Log P

1.49

Version

v1,v2

In Ch Ikey

KKSDGJDHHZEWEP-SNAWJCMRSA-N

Ob Score

49.53849.5381746649.538175

Suppress

Num Hdonors

Drug Likeness

0.651

Num Hacceptors

Isomeric Smiles

C1=CC(=CC(=C1)O)/C=C/C(=O)O

Molecule Weight

164.17

Canonical Smiles

C1=CC(=CC(=C1)O)C=CC(=O)O

Herb Alias Names

3-Hydroxycinnamic acid14755-02-3588-30-73-Coumaric acid(E)-3-(3-Hydroxyphenyl)acrylic acidm-Hydroxycinnamic acidtrans-3-Hydroxycinnamic acid3-(3-Hydroxyphenyl)acrylic acidtrans-m-Coumaric Acid

Molecular Weight

164.16

Molecular Formula

C9H8O3

Molecular Formula

C9H8O3

Num Rotatable Bonds