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
- 24225
- Core Entity Id
- 30113
- Source Entity Count
- 1
- Preferred Name
- Lasianthuoside c
- Name En
- Pubchem Id
- 11664331
- Smiles Canonical
- COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
- Molecular Formula
- C28H32O14
- Molecular Weight
- 592.5500
- Inchikey
- NUEGCZCBUUHEIJ-ZIAHVCMJSA-N
- Inchi
- InChI=1S/C28H32O14/c1-37-8-14-16(7-13-18(26(14)38-2)20(31)12-6-4-3-5-11(12)19(13)30)41-28-25(36)23(34)22(33)17(42-28)10-40-27-24(35)21(32)15(29)9-39-27/h3-7,15,17,21-25,27-29,32-36H,8-10H2,1-2H3/t15-,17-,21+,22-,23+,24-,25-,27+,28-/m1/s1
- Isomeric Smiles
- COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.7410
- Num H Donors
- 6
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasianthuoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lasianthuoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lasianthuoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
长尾粗叶木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG WEI CU YE MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Acuminate Lasianthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长尾粗叶木CHANG WEI CU YE MUAcuminate Lasianthus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032692
Npass
NPC4896
Tcmid
12528
Pub Chem
11664331
Tcmbank
TCMBANKIN037487
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H32O14/c1-37-8-14-16(7-13-18(26(14)38-2)20(31)12-6-4-3-5-11(12)19(13)30)41-28-25(36)23(34)22(33)17(42-28)10-40-27-24(35)21(32)15(29)9-39-27/h3-7,15,17,21-25,27-29,32-36H,8-10H2,1-2H3/t15-,17-,21+,22-,23+,24-,25-,27+,28-/m1/s1
Mol Wt
592.5500000000005
Mol Log P
-1.740999999999998
In Ch Ikey
NUEGCZCBUUHEIJ-ZIAHVCMJSA-N
Tcm Name
长尾粗叶木
Tcm Name2
CHANG WEI CU YE MU
Mol2 Path
/TCM_database/2007_3d_all/12533.mol2
Reference
1605
Num Hdonors
6
Tcm Name En
Acuminate Lasianthus
Drug Likeness
0.172
Num Hacceptors
14
Isomeric Smiles
COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O
Canonical Smiles
COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
Molecular Weight
592.5 g/mol
Molecular Formula
C28H32O14
Num Rotatable Bonds
8