KEGG   COMPOUND: C14286Help
Entry
C14286                      Compound                               

Name
Phenolphthalein;
3,3-Bis(4-hydroxyphenyl)phthalide
Formula
C20H14O4
Exact mass
318.0892
Mol weight
318.3228
Structure
Mol fileKCF fileDB search
Remark
Same as: D05456
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C14286  Phenolphthalein
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AB Contact laxatives
     A06AB04 Phenolphthalein
      D05456  Phenolphthalein (INN)
BRITE hierarchy
Other DBs
CAS: 77-09-8
PubChem: 17395286
ChEBI: 34914
ChEMBL: CHEMBL63857
NIKKAJI: J4.502K
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    28.4200  -18.1300
            2   C8y C    28.4200  -19.5300
            3   C8x C    29.6100  -20.2300
            4   C8x C    30.8700  -19.5300
            5   C8y C    30.8700  -18.1300
            6   C8x C    29.6100  -17.4300
            7   C8x C    33.2500  -19.5300
            8   C8y C    33.2500  -18.1300
            9   C1z C    32.0600  -17.4300
            10  C8x C    34.5100  -20.2300
            11  C8y C    35.7000  -19.5300
            12  C8x C    35.7000  -18.1300
            13  C8x C    34.5100  -17.4300
            14  O1a O    27.2300  -20.2300
            15  O1a O    36.8900  -20.2300
            16  O7x O    33.1800  -16.5900
            17  C7x C    32.6900  -15.2600
            18  C8y C    31.2900  -15.2600
            19  C8y C    30.9400  -16.5900
            20  C8x C    30.3800  -14.2800
            21  C8x C    28.9800  -14.5600
            22  C8x C    28.5600  -15.8900
            23  C8x C    29.5400  -16.9400
            24  O6a O    33.4600  -14.0700
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    2  14 1
            16   11  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21    9  19 1
            22   18  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   19  23 2
            27   17  24 2

» Japanese version

DBGET integrated database retrieval system