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
- 34174
- Core Entity Id
- 41180
- Source Entity Count
- 1
- Preferred Name
- Sudachinoid b
- Name En
- Pubchem Id
- 101718896
- Smiles Canonical
- CC1(C2CC(=O)C3(C(C2(C(O1)(C)O)C)CCC4(C35C(O5)C(=O)OC4C6=CC(OC6=O)O)C)C)C
- Molecular Formula
- C25H32O9
- Molecular Weight
- 476.5220
- Inchikey
- NABBIRQIEXBJDL-TUXRQYSISA-N
- Inchi
- InChI=1S/C25H32O9/c1-20(2)13-10-14(26)23(5)12(22(13,4)24(6,30)34-20)7-8-21(3)16(11-9-15(27)31-18(11)28)32-19(29)17-25(21,23)33-17/h9,12-13,15-17,27,30H,7-8,10H2,1-6H3/t12-,13+,15?,16+,17-,21+,22-,23+,24+,25-/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@@H]3[C@@]4([C@@H](CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=CC(OC6=O)O)C)C(O[C@]4(C)O)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 1.3862
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sudachinoid B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sudachinoid b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sudachinoid b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苏打其柑桔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SU DA QI GAN JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sudach Citrus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苏打其柑桔SU DA QI GAN JUSudach Citrus*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045089
Npass
NPC95932
Tcmid
20433
Pub Chem
101718896
Tcmbank
TCMBANKIN039232
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H32O9/c1-20(2)13-10-14(26)23(5)12(22(13,4)24(6,30)34-20)7-8-21(3)16(11-9-15(27)31-18(11)28)32-19(29)17-25(21,23)33-17/h9,12-13,15-17,27,30H,7-8,10H2,1-6H3/t12-,13+,15?,16+,17-,21+,22-,23+,24+,25-/m1/s1
Mol Wt
476.5220000000003
Mol Log P
1.386199999999999
In Ch Ikey
NABBIRQIEXBJDL-TUXRQYSISA-N
Tcm Name
苏打其柑桔
Tcm Name2
SU DA QI GAN JU
Mol2 Path
/TCM_database/2007_3d_all/20449.mol2
Reference
3532
Num Hdonors
2
Tcm Name En
Sudach Citrus*
Drug Likeness
0.425
Num Hacceptors
9
Isomeric Smiles
C[C@@]12CC[C@@H]3[C@@]4([C@@H](CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=CC(OC6=O)O)C)C(O[C@]4(C)O)(C)C)C
Canonical Smiles
CC1(C2CC(=O)C3(C(C2(C(O1)(C)O)C)CCC4(C35C(O5)C(=O)OC4C6=CC(OC6=O)O)C)C)C
Molecular Weight
476.5 g/mol
Molecular Formula
C25H32O9
Num Rotatable Bonds
1