Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 4Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52157
- Core Entity Id
- 95168
- Source Entity Count
- 1
- Preferred Name
- Taraxerol
- Name En
- Pubchem Id
- 12443227
- Smiles Canonical
- C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H] )([H])C4([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H]
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7290
- Inchikey
- GGGUGZHBAOMSFJ-GADYQYKKSA-N
- Inchi
- InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3
- Isomeric Smiles
- CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
- Cas Id
- Ob Score
- 38.4025
- Mol Logp
- 8.1689
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3870
- Polar Surface Area
- 20.0000
- Molecular Volume
- 341.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Epitaraxerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-epitaraxerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-epitaraxerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-epitaraxerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-epitaraxerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epitaraxerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epitaraxerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epitaraxerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Epitaraxerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Taraxe-rol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taraxer-14-en-3beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taraxer-14-en-3beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taraxerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Taraxerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
epitaraxerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
taraxerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
taraxerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
太子蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
扁桃;川党参;党参;荩草;木薯地上部分;球花党参;雀梅藤;日本安息香茎皮*;素花党参;杨梅树皮;药用蒲公英;翼核果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN TAO; CHUAN DANG SHEN; DANG SHEN; JIN CAO; MU SHU DI SHANG BU FEN; QIU HUA DANG SHEN; QUE MEI TENG; RI BEN AN XI XIANG JING PI; SU HUA DANG SHEN; YANG MEI SHU PI; YAO YONG PU GONG YING; YI HE GUO; Diospyros sp.; Canarium sp; Lithocarpus sp.;Lithocarpus sp; Diospyros sp; QIU HUA DANG SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Peachform Mango; Szechwan Tangshen; Pilose Asiabell; Acuteangle Hedyotis; Cassave Aerial Parts; Subglobose Asiabell; Hedge Sageretia; Japanese Snowbell Stem-bark; Moderate Asiabell; Chinese Waxmyrtle Bark; Officinal Dandelion; Smoothfruit Ventilago;Subglobose Asiabell
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Pseudostellaria heterophylla
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3beta)-D-friedoolean-14-en-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3beta)-D-friedoolean-14-en-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
127-22-0
Role
alias
Source
HERB_v2
Preferred
No
Name
127-22-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
20460-33-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
20460-33-7
Role
alias
Source
HERB_v2
Preferred
No
Name
27-Norolean-14-en-3-ol, 13-methyl-, (3alpha,13alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
27-Norolean-14-en-3-ol, 13-methyl-, (3alpha,13alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Taraxerol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Taraxerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-epi-taraxerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-epi-taraxerol
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761691
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761691
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9402
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9402
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL470462
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL470462
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL511822
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL511822
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Friedoolean-14-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Friedoolean-14-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-52953
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-52953
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00871611
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00871611
Role
alias
Source
HERB_v2
Preferred
No
Name
Epitaraxerol
Role
alias
Source
HERB_v2
Preferred
No
Name
Epitaraxerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9340
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9340
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3837
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3837
Role
alias
Source
HERB_v2
Preferred
No
Name
Isotaraxerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isotaraxerol
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-401399
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC401399
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL569464
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL569464
Role
alias
Source
HERB_v2
Preferred
No
Name
Skimmiol?
Role
alias
Source
itcmdb_public
Preferred
No
Name
Taraxerol
Role
alias
Source
HERB_v2
Preferred
No
Name
Taraxerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-A32778O852
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-A32778O852
Role
alias
Source
HERB_v2
Preferred
No
Name
alnulin
Role
alias
Source
HERB_v2
Preferred
No
Name
alnulin
Role
alias
Source
itcmdb_public
Preferred
No
Name
skimmiol
Role
alias
Source
HERB_v2
Preferred
No
Name
tiliadin
Role
alias
Source
HERB_v2
Preferred
No
Name
tiliadin
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-EpitaraxerolEpitaraxerolTaraxe-rolTaraxer-14-en-3beta-ol太子蔘扁桃;川党参;党参;荩草;木薯地上部分;球花党参;雀梅藤;日本安息香茎皮*;素花党参;杨梅树皮;药用蒲公英;翼核果BIAN TAO; CHUAN DANG SHEN; DANG SHEN; JIN CAO; MU SHU DI SHANG BU FEN; QIU HUA DANG SHEN; QUE MEI TENG; RI BEN AN XI XIANG JING PI; SU HUA DANG SHEN; YANG MEI SHU PI; YAO YONG PU GONG YING; YI HE GUO; Diospyros sp.; Canarium sp; Lithocarpus sp.;Lithocarpus sp; Diospyros sp; QIU HUA DANG SHENPeachform Mango; Szechwan Tangshen; Pilose Asiabell; Acuteangle Hedyotis; Cassave Aerial Parts; Subglobose Asiabell; Hedge Sageretia; Japanese Snowbell Stem-bark; Moderate Asiabell; Chinese Waxmyrtle Bark; Officinal Dandelion; Smoothfruit Ventilago;Subglobose AsiabellPseudostellaria heterophylla(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol(3beta)-D-friedoolean-14-en-3-ol127-22-020460-33-727-Norolean-14-en-3-ol, 13-methyl-, (3alpha,13alpha)-3-Taraxerol3-epi-taraxerol4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-olAKOS040761691CHEBI:9402CHEMBL470462CHEMBL511822D-Friedoolean-14-en-3beta-olDA-52953DTXSID00871611FS-9340HY-N3837IsotaraxerolNSC-401399NSC401399SCHEMBL569464Skimmiol?UNII-A32778O852alnulinskimmioltiliadin13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
22076-46-6
Herb
HBIN008503HBIN025425HBIN045539HBIN045541HBIN045542
Npass
NPC129206NPC138374NPC189214NPC34700
Tcmid
2069420695239687024
Tcmsp
MOL006554MOL007974
Sym Map
SMIT08158SMIT09314SMIT15271SMIT17856SMIT18482
Tcm Id
121151211612117121181211915294173921739325000630
Pub Chem
1244322712931688213770505314615683234446752706115458935709319492097
Tcmbank
TCMBANKIN000172TCMBANKIN038649TCMBANKIN043767TCMBANKIN057342TCMBANKIN059599
Etcm Ingredient
3-epitaraxerolEpitaraxeroltaraxerol
Itcmdb Generated
ITX-INGREDIENT-1FF8B350EA2BITX-INGREDIENT-752F761A3A00ITX-INGREDIENT-778EBAF55BD2ITX-INGREDIENT-7A478E363E7EITX-INGREDIENT-910BD7A54952ITX-INGREDIENT-BB39762604CEITX-INGREDIENT-C870806B7F96ITX-INGREDIENT-DF72E945721E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
In Ch I
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24+,27-,28-,29-,30+/m0/s1InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23-,24-,27-,28-,29-,30+/m0/s1
Mol Wt
426.7290000000002
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H]
)([H])C4([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])
([H])C4([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
37 Flag
37
C Count
30
Mol Log P
8.1689000000000088.16890000000001
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
GGGUGZHBAOMSFJ-GADYQYKKSA-NGGGUGZHBAOMSFJ-SXCHAQDZSA-NGGGUGZHBAOMSFJ-UHFFFAOYSA-NGGGUGZHBAOMSFJ-VONAQYPGSA-N
Ob Score
38.402544438.4038.4015806368.4015818.401581;38.4025448.402
Suppress
01
Tcm Name
太子蔘扁桃;川党参;党参;荩草;木薯地上部分;球花党参;雀梅藤;日本安息香茎皮*;素花党参;杨梅树皮;药用蒲公英;翼核果
Tcm Name2
BIAN TAO; CHUAN DANG SHEN; DANG SHEN; JIN CAO; MU SHU DI SHANG BU FEN; QIU HUA DANG SHEN; QUE MEI TENG; RI BEN AN XI XIANG JING PI; SU HUA DANG SHEN; YANG MEI SHU PI; YAO YONG PU GONG YING; YI HE GUO; Diospyros sp.; Canarium sp; Lithocarpus sp.;Lithocarpus sp; Diospyros sp; QIU HUA DANG SHEN
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/太子蔘/Structure/taraxerol.mol2/TCM_database/2003_3d_all/8073.mol2/TCM_database/2007_3d_all/07025.mol2
Reference
2, 515, 550, 658, 6604714, 5379
Num Hdonors
1
Tcm Name En
Peachform Mango; Szechwan Tangshen; Pilose Asiabell; Acuteangle Hedyotis; Cassave Aerial Parts; Subglobose Asiabell; Hedge Sageretia; Japanese Snowbell Stem-bark; Moderate Asiabell; Chinese Waxmyrtle Bark; Officinal Dandelion; Smoothfruit Ventilago;Subglobose Asiabell Pseudostellaria heterophylla
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
1
Drug Likeness
0.387
Num Hacceptors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Isomeric Smiles
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)CC[C@]12CCC(C[C@@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)CC[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)CC[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C
Molecule Weight
426.8
Num H Acceptors
1
Canonical Smiles
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
Herb Alias Names
EpitaraxerolIsotaraxerol20460-33-727-Norolean-14-en-3-ol, 13-methyl-, (3alpha,13alpha)-3-epi-taraxerol3-TaraxerolEpitaraxerolCHEMBL470462HY-N3837AKOS040761691FS-9340
Molecular Weight
426.390
Molecular Volume
341
Molecular Weight
426.7 g/mol427
Molecule Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
0
Link Ingredient Id
8158.0
Num Rotatable Bonds
0
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.8970.9470.952
Quantitative Estimate Of Drug Likeness（Qed）
0.387