IngredientID 28974

Palmidin a

C30H22O8

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Herb: 12Ingredient: 1Links: 12

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 28974
Core Entity Id: 35391
Source Entity Count: 1
Preferred Name: Palmidin a
Name En
Pubchem Id: 5320384
Smiles Canonical: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O
Molecular Formula: C30H22O8
Molecular Weight: 510.4980
Inchikey: DJTVMANCSQLMCX-UHFFFAOYSA-N
Inchi: InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3
Isomeric Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O
Cas Id
Ob Score: 35.3580
Mol Logp: 4.0681
Num H Donors: 6
Num H Acceptors: 8
Num Rotatable Bonds: 2
Drug Likeness: 0.2360
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Palmidin A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Palmidin A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Palmidin A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Palmidin a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Palmidin a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

(9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-

Role

alias

Source

TCMBank

Preferred

Name

10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one

Role

alias

Source

TCMBank

Preferred

Name

10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Role

alias

Source

HERB_v2

Preferred

Name

10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Role

alias

Source

TCMBank

Preferred

Name

10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Role

alias

Source

itcmdb_public

Preferred

Name

17062-55-4

Role

alias

Source

itcmdb_public

Preferred

Name

17062-55-4

Role

alias

Source

HERB_v2

Preferred

Name

17062-55-4

Role

alias

Source

TCMBank

Preferred

Name

2,4,4',5,5'-PENTAHYDROXY-2'-(HYDROXYMETHYL)-7-METHYL-9H,9'H-[9,9'-BIANTHRACENE]-10,10'-DIONE

Role

alias

Source

TCMBank

Preferred

Name

AC1NSZET

Role

alias

Source

TCMBank

Preferred

Name

Aloeemodin-emodin bianthrone

Role

alias

Source

HERB_v2

Preferred

Name

Aloeemodin-emodin bianthrone

Role

alias

Source

itcmdb_public

Preferred

Name

Aloeemodin-emodin bianthrone

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:177506

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:177506

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID101318495

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID101318495

Role

alias

Source

HERB_v2

Preferred

Name

RF802M0XYX

Role

alias

Source

HERB_v2

Preferred

Name

RF802M0XYX

Role

alias

Source

TCMBank

Preferred

Name

RF802M0XYX

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-RF802M0XYX

Role

alias

Source

HERB_v2

Preferred

Name

UNII-RF802M0XYX

Role

alias

Source

TCMBank

Preferred

Name

UNII-RF802M0XYX

Role

alias

Source

itcmdb_public

Preferred

Name

[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

palmidin a

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one17062-55-42,4,4',5,5'-PENTAHYDROXY-2'-(HYDROXYMETHYL)-7-METHYL-9H,9'H-[9,9'-BIANTHRACENE]-10,10'-DIONEAC1NSZETAloeemodin-emodin bianthroneCHEBI:177506DTXSID101318495RF802M0XYXUNII-RF802M0XYX[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN038674

Npass

NPC91382

Tcmid

16545

Tcmsp

MOL000762MOL002303

Sym Map

SMIT03292SMIT17082

Tcm Id

2068

Pub Chem

5320384

Tcmbank

TCMBANKIN000570

Etcm Ingredient

Palmidin A

Itcmdb Generated

ITX-INGREDIENT-C45833A2D41D

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3

Mol Wt

510.4980000000003

Smiles

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O

Mol Log P

4.068120000000007

Version

v1,v2

In Ch Ikey

DJTVMANCSQLMCX-UHFFFAOYSA-N

Ob Score

35.35835.3581879535.358188

Suppress

Num Hdonors

Drug Likeness

0.236

Num Hacceptors

Isomeric Smiles

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O

Molecule Weight

510.52

Canonical Smiles

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O

Herb Alias Names

17062-55-4UNII-RF802M0XYXRF802M0XYX(9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-Aloeemodin-emodin bianthroneCHEBI:177506DTXSID10131849510-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Molecular Weight

510.130

Molecular Weight

510.5 g/mol

Molecule Formula

C30H22O8

Molecular Formula

C30H22O8

Molecular Formula

C30H22O8

Molecular Formula

C30H22O8

Num Rotatable Bonds

Link Ingredient Id

3292.0

Fda Maximum Daily Dose (Fdamdd)

0.968

Quantitative Estimate Of Drug Likeness（Qed）

0.137