Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15025
- Core Entity Id
- 19866
- Source Entity Count
- 1
- Preferred Name
- Collettinside i
- Name En
- Pubchem Id
- 11827970
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1
- Molecular Formula
- C33H52O8
- Molecular Weight
- 576.3700
- Inchikey
- WXMARHKAXWRNDM-GAMIEDRGSA-N
- Inchi
- InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.1000
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Collettinside I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Collettinside i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Collettinside i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
collettinside i
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021276
Tcmid
3922
Tcmbank
TCMBANKIN035920
Etcm Ingredient
Collettinside I
Itcmdb Generated
ITX-INGREDIENT-1B1125E226F4
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
576.370
Molecular Formula
C33H52O8
Molecular Formula
C33H52O8
Molecular Formula
C33H52O8
Fda Maximum Daily Dose (Fdamdd)
0.669
Quantitative Estimate Of Drug Likeness（Qed）
0.377