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
- 24039
- Core Entity Id
- 29905
- Source Entity Count
- 1
- Preferred Name
- L-2,3-butanediol
- Name En
- Pubchem Id
- 439888
- Smiles Canonical
- CC(C(C)O)O
- Molecular Formula
- C4H10O2
- Molecular Weight
- 90.1220
- Inchikey
- OWBTYPJTUOEWEK-IMJSIDKUSA-N
- Inchi
- InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
- Isomeric Smiles
- C[C@@H]([C@H](C)O)O
- Cas Id
- 19132-06-0
- Ob Score
- 33.7820
- Mol Logp
- -0.2520
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-()-2,3-Butanediol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-()-2,3-Butanediol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-2,3-butanediol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-2,3-butanediol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,3S)-()-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S)-(+)-2,3-Butanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S)-(+)-2,3-Butanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S)-butane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S)-butane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S)-butane-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(S,S)-(+)-2,3-butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
(S,S)-2,3-Butanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S,S)-2,3-Butanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S,S)-2,3-Butylene glycol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S,S)-2,3-Butylene glycol
Role
alias
Source
TCMBank
Preferred
No
Name
(S,S)-2,3-Butylene glycol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S,S)-Butane-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(S,S)-Butane-2,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S,S)-Butane-2,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
18967_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
19132-06-0
Role
alias
Source
TCMBank
Preferred
No
Name
19132-06-0
Role
alias
Source
HERB_v2
Preferred
No
Name
19132-06-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Butanediol, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Butanediol, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
300349_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
C03046
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16812
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00901619
Role
alias
Source
TCMBank
Preferred
No
Name
BU3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bu3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-(2R,3R)-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R*,3R*)-2,3-dihydroxybutane
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-(-)-2,3-Butanediol, 97%
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-(−)-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-butane-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R)-rel-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
(2r,3r)-butan-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(R,R)-(-)-2,3-Butylene Glycol
Role
alias
Source
TCMBank
Preferred
No
Name
(R,R)-(-)-2,3-Dihydroxybutane
Role
alias
Source
TCMBank
Preferred
No
Name
(R,R)-(-)-Butane-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(R,R)-2,3-butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Butanediol, (R*,R*)-(+-)-
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Butanediol, [R-(R*,R*)]-
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Butanediol, threo-
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
237639_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
24347-58-8
Role
alias
Source
TCMBank
Preferred
No
Name
32399-EP2301933A1
Role
alias
Source
TCMBank
Preferred
No
Name
32399-EP2311827A1
Role
alias
Source
TCMBank
Preferred
No
Name
347B588
Role
alias
Source
TCMBank
Preferred
No
Name
6982-25-8
Role
alias
Source
TCMBank
Preferred
No
Name
A817243
Role
alias
Source
TCMBank
Preferred
No
Name
AC-26496
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L5EEH
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q59P8
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-24368
Role
alias
Source
TCMBank
Preferred
No
Name
AK-84477
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015907648
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS016015450
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-25408
Role
alias
Source
TCMBank
Preferred
No
Name
BP-30189
Role
alias
Source
TCMBank
Preferred
No
Name
C03044
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16982
Role
alias
Source
TCMBank
Preferred
No
Name
CTK2F5358
Role
alias
Source
TCMBank
Preferred
No
Name
D-(-)-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
DB-009316
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 246-186-9
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0604653
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0696715
Role
alias
Source
TCMBank
Preferred
No
Name
I14-2853
Role
alias
Source
TCMBank
Preferred
No
Name
J-500969
Role
alias
Source
TCMBank
Preferred
No
Name
J-506903
Role
alias
Source
TCMBank
Preferred
No
Name
KB-03485
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000V6N
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
Levo-2,3-Butanediol
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00064267
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-003-927-419
Role
alias
Source
TCMBank
Preferred
No
Name
NSC15829
Role
alias
Source
TCMBank
Preferred
No
Name
OR02B2286A
Role
alias
Source
TCMBank
Preferred
No
Name
OWBTYPJTUOEWEK-QWWZWVQMSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
RP18534
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-011239
Role
alias
Source
TCMBank
Preferred
No
Name
ST24033981
Role
alias
Source
TCMBank
Preferred
No
Name
TL8002002
Role
alias
Source
TCMBank
Preferred
No
Name
TR-011239
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-OR02B2286A
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00901616
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC901616
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-()-2,3-Butanediol(2S,3S)-()-2,3-Butanediol(2S,3S)-(+)-2,3-Butanediol(2S,3S)-butane-2,3-diol(S,S)-(+)-2,3-butanediol(S,S)-2,3-Butanediol(S,S)-2,3-Butylene glycol(S,S)-Butane-2,3-diol18967_FLUKA19132-06-02,3-Butanediol, (+)-300349_ALDRICHC03046CHEBI:16812ZINC00901619BU3(-)-(2R,3R)-Butanediol(2R*,3R*)-2,3-dihydroxybutane(2R,3R)-(-)-2,3-Butanediol, 97%(2R,3R)-(−)-2,3-Butanediol(2R,3R)-butane-2,3-diol(2R,3R)-rel-2,3-Butanediol(2r,3r)-butan-2,3-diol(R,R)-(-)-2,3-Butylene Glycol(R,R)-(-)-2,3-Dihydroxybutane(R,R)-(-)-Butane-2,3-diol(R,R)-2,3-butanediol2,3-Butanediol, (R*,R*)-(+-)-2,3-Butanediol, [R-(R*,R*)]-2,3-Butanediol, threo-2,3-butanediol237639_ALDRICH24347-58-832399-EP2301933A132399-EP2311827A1347B5886982-25-8A817243AC-26496AC1L5EEHAC1Q59P8AJ-24368AK-84477AKOS015907648AKOS016015450ANW-25408BP-30189C03044CHEBI:16982CTK2F5358D-(-)-2,3-ButanediolDB-009316EINECS 246-186-9FT-0604653FT-0696715I14-2853J-500969J-506903KB-03485KS-00000V6NL-(-)-2,3-ButanediolLevo-2,3-ButanediolMFCD00064267MolPort-003-927-419NSC15829OR02B2286AOWBTYPJTUOEWEK-QWWZWVQMSA-NRP18534RTR-011239ST24033981TL8002002TR-011239UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-NUNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-NUNII-OR02B2286AUNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-NZINC00901616ZINC901616
Cross References
Trusted external identifiers retained for this final record.
Cas
19132-06-0
Herb
HBIN032460HBIN018951
Npass
NPC55484
Tcmsp
MOL007516
Sym Map
SMIT08931
Pub Chem
439888225936
Tcmbank
TCMBANKIN024904TCMBANKIN059070
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
Mol Wt
90.12199999999999
Cas Id
19132-06-0
Smiles
CC(C(C)O)O
Mol Log P
-0.252
Version
v1,v2
In Ch Ikey
OWBTYPJTUOEWEK-IMJSIDKUSA-N
Ob Score
33.78233.78236133.78236112
Suppress
0
Num Hdonors
2
Drug Likeness
0.466
Num Hacceptors
2
Isomeric Smiles
C[C@@H]([C@H](C)O)O
Molecule Weight
90.14
Canonical Smiles
CC(C(C)O)O
Herb Alias Names
19132-06-0(2S,3S)-butane-2,3-diol(S,S)-2,3-Butanediol(2S,3S)-(+)-2,3-Butanediol(S,S)-(+)-2,3-butanediol(2s,3s)-2,3-butanediol(S,S)-Butane-2,3-diol2,3-Butanediol, (+)-(+)-2,3-butanediol(S,S)-2,3-Butylene glycol
Molecular Weight
90.12
Molecular Formula
C4H10O2
Molecular Formula
C4H10O2
Num Rotatable Bonds
1