Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30158
- Core Entity Id
- 36706
- Source Entity Count
- 1
- Preferred Name
- Plantainoside f
- Name En
- Pubchem Id
- 101607230
- Smiles Canonical
- COC1=C(C=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
- Molecular Formula
- C31H40O16
- Molecular Weight
- 668.6450
- Inchikey
- MTKGYCQUEWGDQW-DHWMEINUSA-N
- Inchi
- InChI=1S/C31H40O16/c1-41-19-7-4-16(11-18(19)34)9-10-43-30-28(40)29(47-31-27(39)26(38)24(36)21(13-32)45-31)25(37)22(46-30)14-44-23(35)8-5-15-3-6-17(33)20(12-15)42-2/h3-8,11-12,21-22,24-34,36-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,22-,24-,25-,26-,27-,28-,29+,30-,31+/m1/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
- Cas Id
- 136029-89-5
- Ob Score
- Mol Logp
- -1.4375
- Num H Donors
- 8
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.0900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Plantainoside F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Plantainoside F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Plantainoside f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Plantainoside f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
车前
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHE QIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Plantain
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
车前CHE QIANAsiatic Plantain
Cross References
Trusted external identifiers retained for this final record.
Cas
136029-89-5
Herb
HBIN040177
Npass
NPC290957
Tcmid
1749836454
Tcm Id
1579
Pub Chem
101607230
Tcmbank
TCMBANKIN032415
Etcm Ingredient
Plantainoside F
Itcmdb Generated
ITX-INGREDIENT-4A8445FF0AACITX-INGREDIENT-97E1415D19FA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C31H40O16/c1-41-19-7-4-16(11-18(19)34)9-10-43-30-28(40)29(47-31-27(39)26(38)24(36)21(13-32)45-31)25(37)22(46-30)14-44-23(35)8-5-15-3-6-17(33)20(12-15)42-2/h3-8,11-12,21-22,24-34,36-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,22-,24-,25-,26-,27-,28-,29+,30-,31+/m1/s1
Mol Wt
668.6450000000006
Cas Id
136029-89-5
Mol Log P
-1.437499999999998
In Ch Ikey
MTKGYCQUEWGDQW-DHWMEINUSA-N
Tcm Name
车前
Tcm Name2
CHE QIAN
Mol2 Path
/TCM_database/2007_3d_all/17512.mol2
Reference
660, 1127
Num Hdonors
8
Tcm Name En
Asiatic Plantain
Drug Likeness
0.09
Num Hacceptors
16
Isomeric Smiles
COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Canonical Smiles
COC1=C(C=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Molecular Weight
668.230
Molecular Formula
C31H40O16
Molecular Formula
C31H40O16
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.090