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
- 35314
- Core Entity Id
- 42440
- Source Entity Count
- 1
- Preferred Name
- Tirucalla-8,24-diene
- Name En
- Pubchem Id
- 22814805
- Smiles Canonical
- CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCCC4(C)C)C)C)C
- Molecular Formula
- C30H50
- Molecular Weight
- 410.7300
- Inchikey
- OJTUSJZQVLETGQ-VDWHJNTNSA-N
- Inchi
- InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h11,22-23,26H,9-10,12-20H2,1-8H3/t22-,23-,26?,28-,29+,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@]1(CCC3=C2CCC4[C@@]3(CCCC4(C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 9.5083
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tirucalla-8,24-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tirucalla-8,24-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tirucalla-8,24-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
倒卵叶伏石蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DAO LUAN YE FU SHI JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Obovateleaf Lemmaphyllum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
倒卵叶伏石蕨DAO LUAN YE FU SHI JUEObovateleaf Lemmaphyllum*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046488
Tcmid
21389
Pub Chem
22814805
Tcmbank
TCMBANKIN042254
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h11,22-23,26H,9-10,12-20H2,1-8H3/t22-,23-,26?,28-,29+,30+/m1/s1
Mol Wt
410.7300000000002
Mol Log P
9.508299999999998
In Ch Ikey
OJTUSJZQVLETGQ-VDWHJNTNSA-N
Tcm Name
倒卵叶伏石蕨
Tcm Name2
DAO LUAN YE FU SHI JUE
Mol2 Path
/TCM_database/2007_3d_all/21405.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Obovateleaf Lemmaphyllum*
Drug Likeness
0.405
Num Hacceptors
0
Isomeric Smiles
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@]1(CCC3=C2CCC4[C@@]3(CCCC4(C)C)C)C)C
Canonical Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCCC4(C)C)C)C)C
Molecular Formula
C30H50
Num Rotatable Bonds
4